⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Cyclooctane SCHEMBL31437963 | 1.00 | — | — | |
| Cyclopentane SCHEMBL7202189 | 1.00 | — | — | |
| Bicarbonate SCHEMBL8391025 | 0.79 | CA1 (0.62) | — | |
| Bicarbonate SCHEMBL29002774 | 0.79 | CA1 (0.62) | — | |
| Cyclohexane SCHEMBL3406024 | 0.79 | CA1 (0.62) | — | |
| Cyclohexane SCHEMBL6065983 | 0.79 | CA1 (0.62) | — | |
| Cyclohexane SCHEMBL25742 | 0.79 | CA1 (0.62) | — | |
| SCHEMBL25378505 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL161597 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL13468315 | 0.78 | ALDH1A1 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 212 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109248699-B | Method for preparing KA oil by cyclohexane oxidation | 中国石油化工股份有限公司 | 2022-08-12 | — | — | CN | claimed |
| CN-108602740-B | Method for producing oxidation reaction product of hydrocarbon or derivative thereof, and method for producing oxidation reaction product of olefin | 阿斯制药株式会社 | 2022-06-03 | — | — | CN | claimed |
| US-11306052-B2 | Cycloalkane oxidation catalysts and method to produce alcohols and ketones | PERFORMANCE POLYAMIDES, SAS (FR) | 2022-04-19 | — | — | US | claimed |
| EP-3398925-B1 | METHOD FOR PRODUCING OXIDATION REACTION PRODUCT OF HYDROCARBON OR DERIVATIVE THEREOF, AND METHOD FOR PRODUCING OXIDATION REACTION PRODUCT OF OLEFIN | EARTH CORP (JP) | 2022-03-30 | — | — | EP | claimed |
| CN-109251126-B | Method for preparing KA oil by cyclohexane oxidation | 中国石油化工股份有限公司 | 2021-12-07 | — | — | CN | claimed |
| US-10947190-B2 | Method for producing oxidation reaction product of hydrocarbon or derivative thereof, and method for producing oxidation reaction product of olefin | ACENET INC. (JP) | 2021-03-16 | — | — | US | claimed |
| US-20200377453-A1 | METHOD FOR PRODUCING OXIDATION REACTION PRODUCT OF HYDROCARBON OR DERIVATIVE THEREOF, AND METHOD FOR PRODUCING OXIDATION REACTION PRODUCT OF OLEFIN | ACENET INC. (JP) | 2020-12-03 | — | — | US | claimed |
| CN-109248699-A | The method of cyclohexane oxidation KA oil | 中国石油化工股份有限公司 | 2019-01-22 | — | — | CN | claimed |
| CN-109251126-A | A kind of method of cyclohexane oxidation KA oil | 中国石油化工股份有限公司 | 2019-01-22 | — | — | CN | claimed |
| EP-3398925-A1 | METHOD FOR PRODUCING OXIDATION REACTION PRODUCT OF HYDROCARBON OR DERIVATIVE THEREOF, AND METHOD FOR PRODUCING OXIDATION REACTION PRODUCT OF OLEFIN | Acenet Inc. (JP) | 2018-11-07 | — | — | EP | claimed |
| US-6770716-B1 | HIGH SPEED DECOMPOSITION OF PEROXIDE INITIATOR USING HYDROPEROXIDES AND/OR METALLIC SALTS SUCH AS T-BUTYL HYDROPEROXIDE (TBH), HYDROPEROXIDE, P-ISOPROPYL CUMYL HYDROPEROXIDE, COBALT NAPHTHENATE, OR COBALT ACETOACETONATE | FINA TECHNOLOGY, INC. | 2004-08-03 | — | — | US | claimed |
| US-6646102-B2 | Epoxidizing an alpha - halohydrin intermediate produced from a halide substitution of an alpha -dihydroxy derivative which has been obtained by a dihydroxylation reaction of an aryl allyl ether, oxidation catalysts | DOW GLOBAL TECHNOLOGIES INC. | 2003-11-11 | — | — | US | claimed |
| US-20030105268-A1 | Process for manufacturing an alpha-dihydroxy derivative and epoxy resins prepared therefrom | DOW GLOBAL TECHNOLOGIES INC. | 2003-06-05 | — | — | US | claimed |
| CN-1401425-A | Phase-transfer catalyst for control of oxidizing reaction and oxidizing reaction procedure | DALIAN CHEMICAL PHYSICS INST (CN) | 2003-03-12 | — | — | CN | claimed |
| US-6500955-B1 | CONDENSING A HALO- QUINOLINE WITH AN ALPHA-PICOLYL DERIVATIVES IN THE PRESENCE OF A SOLVENT AND A PHASE TRANSFER CATALYST AT -10 TO 90 DEGREE C. TO FORM (2,8-BIS (TRIFLUOROMETHYL)-4-QUINOLINYL)-2-PYRIDINYLMETHANONE | NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) | 2002-12-31 | — | — | US | claimed |
| US-20020188129-A1 | ONE POT SYNTHESIS OF [2, 8-BIS (TRIFLUOROMETHYL)-4- QUINOLINYL]2-PYRIDINYLMETHANONE, A MEFLOQUINE INTERMEDIATE | NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) | 2002-12-12 | — | — | US | claimed |
| CN-1370777-A | Improved single-reactor synthesis of [2,8-di(trifluoromethyl)-4-quinolyl]-2-pyridyl methyl ketone and methylfluoro quine | NAT PHARMACEUTICAL EDUCATION A (IN) | 2002-09-25 | — | — | CN | claimed |
| CN-1355067-A | Reaction control phase transferring catalyst for oxidizing reaction and its oxidizing reaction process | DALIAN CHEMICAL PHYSICS INST (CN) | 2002-06-26 | — | — | CN | claimed |
| US-5103027-A | Catalyst selectivity | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1992-04-07 | — | — | US | claimed |
| US-4992151-A | Method for the selective alpha halogenation of alkylaromatic compounds | THE DOW CHEMICAL COMPANY (US) | 1991-02-12 | — | — | US | claimed |