⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17124433 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL17124431 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL14383118 | 0.78 | — | — | |
| SCHEMBL17124432 | 0.78 | — | — | |
| SCHEMBL2746192 | 0.71 | RIPK1 (0.36) | — | |
| SCHEMBL6060603 | 0.71 | FFAR1 (0.31) | — | |
| SCHEMBL583105 | 0.71 | — | — | |
| SCHEMBL21499420 | 0.69 | — | — | |
| SCHEMBL4393976 | 0.69 | — | — | |
| SCHEMBL18970406 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160137639-A1 | TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2016-05-19 | — | — | US | disclosed |
| US-20160137639-A1 | TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2016-05-19 | — | — | US | disclosed |
| WO-2014065413-A1 | TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF | 日本たばこ産業株式会社 (JP) | 2014-05-01 | — | — | WO | disclosed |
| EP-0380052-B1 | Process for preparing alkyl halogenides | SUMITOMO CHEMICAL CO (JP) | 1994-04-13 | — | — | EP | disclosed |
| US-5138109-A | Alkylation in presence of liquid catalyst containing aluminum chloride and alkylbenzene | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1992-08-11 | — | — | US | disclosed |
| EP-0380052-A1 | Process for preparing alkyl halogenides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-08-01 | — | — | EP | disclosed |