⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9363406 | 0.64 | — | — | |
| SCHEMBL11789898 | 0.63 | — | — | |
| SCHEMBL31620178 | 0.63 | — | — | |
| SCHEMBL28156221 | 0.63 | — | — | |
| SCHEMBL10685027 | 0.61 | — | — | |
| SCHEMBL28847933 | 0.61 | TRPV6 (0.30) | — | |
| SCHEMBL8051046 | 0.61 | — | — | |
| SCHEMBL8927850 | 0.61 | — | — | |
| SCHEMBL8564369 | 0.61 | — | — | |
| SCHEMBL11960715 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7087787-B1 | Method for producing derivatives of 4-alkylsulfinyl methylarylene methanols | COVION ORGANIC SEMICONDUCTORS GMBH (DE) | 2006-08-08 | — | — | US | disclosed |