⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12656723 | 1.00 | — | — | |
| SCHEMBL14145632 | 1.00 | — | — | |
| Propane SCHEMBL11440266 | 0.79 | ALPG (0.33) | — | |
| SCHEMBL191109 | 0.72 | TXN (0.38) | — | |
| SCHEMBL775152 | 0.72 | — | — | |
| SCHEMBL24838935 | 0.72 | — | — | |
| SCHEMBL18133318 | 0.72 | — | — | |
| SCHEMBL18081991 | 0.72 | — | — | |
| SCHEMBL7962608 | 0.72 | — | — | |
| SCHEMBL8434600 | 0.70 | — | — |
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 466 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106501380-A | A kind of measuring method of the sulfur-containing compound in methyl tert-butyl ether product | 中国石油化工股份有限公司 | 2017-03-15 | — | — | CN | claimed |
| US-20070183962-A1 | Reduction of the concentration of undesired compounds | INEOS FLUOR HOLDINGS LIMITED (GB) | 2007-08-09 | — | — | US | claimed |
| EP-1646584-A1 | REDUCTION OF THE CONCENTRATION OF UNDESIRED COMPOUNDS | Ineos Fluor Holdings Limited (GB) | 2006-04-19 | — | — | EP | claimed |
| WO-2005012178-A1 | REDUCTION OF THE CONCENTRATION OF UNDESIRED COMPOUNDS | INEOS FLUOR HOLDINGS LIMITED (GB) | 2005-02-10 | — | — | WO | claimed |
| CN-117279933-A | Cyclic compounds having selective KRAS inhibition relative to HRAS and NRAS | 中外制药株式会社 | 2023-12-22 | — | — | CN | disclosed |
| CN-115698032-A | Efficient peptide condensation of difficult sequences | 中外制药株式会社 | 2023-02-03 | — | — | CN | disclosed |
| CN-112469279-B | Fungicides for the prevention and control of fungal pathogens | 洛桑大学 | 2022-05-31 | — | — | CN | disclosed |
| US-20210309619-A1 | ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 2021-10-07 | — | — | US | disclosed |
| US-11109593-B2 | Isoxazolin-5-one derivative and herbicide containing same as active ingredient | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 2021-09-07 | — | — | US | disclosed |
| EP-3277304-B1 | PROTOXIN-II VARIANTS AND METHODS OF USE | JANSSEN BIOTECH INC (US) | 2021-08-04 | — | — | EP | disclosed |
| EP-3020715-B1 | TETRAZOLINONE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2021-06-16 | — | — | EP | disclosed |
| EP-3828176-A1 | ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT | Hokko Chemical Industry Co., Ltd. (JP) | 2021-06-02 | — | — | EP | disclosed |
| US-4782147-A | ANTIBIOTIC | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-11-01 | — | — | US | disclosed |
| EP-0275312-A1 | THIAZOLE DERIVATIVES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1988-07-27 | — | — | EP | disclosed |
| US-4727205-A | HEATING GAS IN PRESENCE OF ETHER OR THIOETHER COMPOUND | THE STANDARD OIL COMPANY (US) | 1988-02-23 | — | — | US | disclosed |
| US-4675397-A | MICROBIOCIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-06-23 | — | — | US | disclosed |
| US-4665067-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-05-12 | — | — | US | disclosed |
| US-4550105-A | BETA-LACTAMASE INHIBITORS, ANTIBIOTICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-10-29 | — | — | US | disclosed |
| US-3978198-A | METHOD FOR PRODUCING CARBON DISULFIDE | RHONE-POULENC INDUSTRIES (FR) | 1976-08-31 | — | — | US | disclosed |
| US-3968244-A | Chemosterilant and larvicidal imidothiocarbonates | AMERICAN CYANAMID COMPANY (US) | 1976-07-06 | — | — | US | disclosed |