⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL967188 | 1.00 | — | — | |
| SCHEMBL3475223 | 0.97 | — | — | |
| SCHEMBL10679392 | 0.97 | TSHR (0.39) | — | |
| SCHEMBL9027 | 0.97 | — | — | |
| SCHEMBL9026 | 0.97 | — | — | |
| SCHEMBL25341328 | 0.94 | — | — | |
| Water SCHEMBL1204298 | 0.94 | — | — | |
| Methane SCHEMBL22130032 | 0.94 | — | — | |
| SCHEMBL7001703 | 0.94 | — | — | |
| SCHEMBL30244934 | 0.94 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106967069-A | A kind of preparation method of triamterene | 盐城市麦迪科化学品制造有限公司 | 2017-07-21 | — | — | CN | claimed |
| CN-110386881-B | Diarylethene compound, pharmaceutical composition and application thereof | 中国科学院昆明植物研究所 | 2021-03-02 | — | — | CN | disclosed |
| CN-106432163-A | Volution lactone compound and synthesis method and application thereof | 山东东方农药科技实业有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-103384667-A | Benzoxazepines asn inhibitors of P13k/mTOR and methods of their use and manufacture | EXELIXIS INC | 2013-11-06 | — | — | CN | disclosed |
| CN-1103288-A | Local anaesthetic and its preparing method | ZHANG JIE (CN) | 1995-06-07 | — | — | CN | disclosed |
| US-5001203-A | UV curable polyorganophosphazene composition | ETHYL CORPORATION (US) | 1991-03-19 | — | — | US | disclosed |
| EP-0334090-A2 | Acrylate cured polyphosphazenes | ETHYL CORPORATION (US) | 1989-09-27 | — | — | EP | disclosed |
| US-4816532-A | Acrylate cured polyphosphazenes | ETHYL CORPORATION (US) | 1989-03-28 | — | — | US | disclosed |