⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL497933 | 0.96 | — | — | |
| SCHEMBL1515198 | 0.89 | — | — | |
| SCHEMBL7739375 | 0.73 | — | — | |
| SCHEMBL7733436 | 0.73 | — | — | |
| SCHEMBL7733172 | 0.73 | — | — | |
| SCHEMBL7733243 | 0.73 | — | — | |
| SCHEMBL7733056 | 0.73 | — | — | |
| SCHEMBL7658464 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL247765 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL7741579 | 0.69 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8357718-B2 | N-heterocyclyl- or cycloalkyl-N-(2-carboxy-5-aryl-3-thiophenyl)cycloalkanecarboxamides, e.g., 5-(3-fluorophenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-thiophene-2-carboxylic acid; especially for prevention and treatment of HVC | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2013-01-22 | — | — | US | claimed |
| EP-0128516-B2 | Optical fibre | DAIKIN IND LTD (JP) | 1994-08-24 | — | — | EP | claimed |
| US-4720166-A | FLUOROPOLYMER | DAIKIN KOGYO CO., LTD. (JP) | 1988-01-19 | — | — | US | claimed |
| EP-3256448-A1 | SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS | Bayer CropScience Aktiengesellschaft (DE) | 2017-12-20 | — | — | EP | disclosed |
| CN-107043751-A | A kind of method of the quick reoxygenation of cell under anaerobic environment | 上海纳米技术及应用国家工程研究中心有限公司 | 2017-08-15 | — | — | CN | disclosed |
| WO-2016128365-A1 | SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-08-18 | — | — | WO | disclosed |
| CN-101035770-B | 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV | 2011-02-23 | — | — | CN | disclosed |
| CN-101035772-A | 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2007-09-12 | — | — | CN | disclosed |
| CN-101035770-A | Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2007-09-12 | — | — | CN | disclosed |
| US-6388044-B1 | THERMOSETTING POLYETHER; CROSSLINKING BY HEATING | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-05-14 | — | — | US | disclosed |
| CN-1227548-A | Substituted p-trifluoromethylphenyluracils | BAYER AG (DE) | 1999-09-01 | — | — | CN | disclosed |
| EP-0128516-B2 | Optical fibre | DAIKIN IND LTD (JP) | 1994-08-24 | — | — | EP | disclosed |
| US-4720166-A | FLUOROPOLYMER | DAIKIN KOGYO CO., LTD. (JP) | 1988-01-19 | — | — | US | disclosed |