⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL4006464 | 0.87 | CA1 (0.30) | — | |
| SCHEMBL13708490 | 0.74 | — | — | |
| Trimethylammonium SCHEMBL1411855 | 0.71 | — | — | |
| Trimethylammonium SCHEMBL7953164 | 0.71 | LMNA (0.50) | — | |
| Trimethylammonium SCHEMBL27335898 | 0.59 | — | — | |
| SCHEMBL1158248 | 0.59 | — | — | |
| SCHEMBL173143 | 0.59 | — | — | |
| SCHEMBL306327 | 0.59 | — | — | |
| Trimethylammonium SCHEMBL139958 | 0.54 | — | — | |
| SCHEMBL5573210 | 0.54 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1171561-A | Optical unit and electrolytic solution | SONY CORP (JP) | 1998-01-28 | — | — | CN | claimed |
| CN-108409767-B | Preparation method of heterocyclic biphenyl boric acid | 上海泰坦科技股份有限公司 | 2020-07-10 | — | — | CN | disclosed |
| US-20040157878-A1 | Compounds as radioligands for the diagnosis of disease | PHARMACIA & UPJOHN COMPANY | 2004-08-12 | — | — | US | disclosed |
| WO-2004052889-A1 | COMPOUNDS AS RADIOLIGANDS FOR THE DIAGNOSIS OF DISEASE | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-06-24 | — | — | WO | disclosed |
| CN-1171561-A | Optical unit and electrolytic solution | SONY CORP (JP) | 1998-01-28 | — | — | CN | disclosed |