⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18998727 | 1.00 | — | — | |
| SCHEMBL8148238 | 1.00 | — | — | |
| SCHEMBL19015348 | 1.00 | — | — | |
| SCHEMBL17147617 | 1.00 | — | — | |
| SCHEMBL14086035 | 1.00 | — | — | |
| SCHEMBL974399 | 0.85 | CHRM2 (0.48) | — | |
| SCHEMBL8494369 | 0.85 | CHRM2 (0.48) | — | |
| SCHEMBL1298159 | 0.85 | CHRM2 (0.48) | — | |
| SCHEMBL974796 | 0.85 | CHRM2 (0.48) | — | |
| SCHEMBL31285391 | 0.85 | CHRM2 (0.48) | — |
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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109721448-B | Method for preparing alkyl derivative by liquid-phase oxidative carbonylation of methyl tert-butyl ether | 河北工业大学 | 2021-06-08 | — | — | CN | claimed |
| CN-109721448-A | A kind of method that methyl tertiary butyl ether(MTBE) liquid-phase oxidative carbonylation prepares alkyl derivative | 河北工业大学 | 2019-05-07 | — | — | CN | claimed |
| US-20030089885-A1 | Use of low molecular weight acetal, alcohol, acylated alcohol and ester compounds to block or reduce odor of carboxylic acids | SENOMYX, INC. | 2003-05-15 | — | — | US | claimed |
| WO-2002085294-A2 | USE OF LOW MOLECULAR WEIGHT ACETAL, ALCOHOL, ACYLATED ALCOHOL AND ESTER COMPOUNDS TO BLOCK OR REDUCE ODOR OF CARBOXYLIC ACIDS | SENOMYX, INC. (US) | 2002-10-31 | — | — | WO | claimed |
| CN-109721448-B | Method for preparing alkyl derivative by liquid-phase oxidative carbonylation of methyl tert-butyl ether | 河北工业大学 | 2021-06-08 | — | — | CN | disclosed |
| US-10645928-B2 | Pesticidally active polycyclic derivatives with sulfur containing substituents | SYNGENTA PARTICIPATIONS AG (CH) | 2020-05-12 | — | — | US | disclosed |
| CN-109721448-A | A kind of method that methyl tertiary butyl ether(MTBE) liquid-phase oxidative carbonylation prepares alkyl derivative | 河北工业大学 | 2019-05-07 | — | — | CN | disclosed |
| US-9845669-B2 | Hydrocarbon recovery with multi-function agent | CENOVUS ENERGY INC. (CA) | 2017-12-19 | — | — | US | disclosed |
| US-20170318809-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2017-11-09 | — | — | US | disclosed |
| CN-104903290-B | Compound having ability to inhibit 11beta-HSD1 enzyme or pharmaceutically acceptable salt thereof, method for producing same, and pharmaceutical composition containing same as active ingredient | 安国乐品株式会社 | 2017-04-26 | — | — | CN | disclosed |
| US-9527798-B2 | Cyclopropylboronic compounds, preparation process thereof and use thereof | DIVERCHIM (FR) | 2016-12-27 | — | — | US | disclosed |
| US-20160264536-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-09-15 | — | — | US | disclosed |
| WO-2002085294-A2 | USE OF LOW MOLECULAR WEIGHT ACETAL, ALCOHOL, ACYLATED ALCOHOL AND ESTER COMPOUNDS TO BLOCK OR REDUCE ODOR OF CARBOXYLIC ACIDS | SENOMYX, INC. (US) | 2002-10-31 | — | — | WO | disclosed |
| US-6469198-B2 | OBTAINED BY CONTACTING N-SALICYLIDENEAMINOALCOHOL WITH MONO OR DIVALENT COPPER COMPOUND; FORMATION OF OPTICALLY ACTIVE CYCLOPROPANE-CARBOXYLIC ESTER FROM PROCHIRAL OLEFIN AND DIAZOACETIC ACID ESTER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-10-22 | — | — | US | disclosed |
| US-20020004618-A1 | Chiral copper complex and production processes thereof and using the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-01-10 | — | — | US | disclosed |
| US-20010037036-A1 | Chiral copper complex catalyst composition and asymmetric production process using the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-11-01 | — | — | US | disclosed |
| CN-1313277-A | Chiral copper complex, preparation method and application thereof | SUMITOMO CHEMICAL CO (JP) | 2001-09-19 | — | — | CN | disclosed |
| EP-1120402-A2 | Chiral copper complex and production processes thereof and using the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-08-01 | — | — | EP | disclosed |
| EP-1120401-A2 | Chiral copper complex catalyst composition and asymmetric production process using the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-08-01 | — | — | EP | disclosed |
| US-4520209-A | Process for cyclizing upsilon-chlorocarboxylic acids | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1985-05-28 | — | — | US | disclosed |