⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21180063 | 0.82 | — | — | |
| SCHEMBL271217 | 0.73 | — | — | |
| SCHEMBL25456005 | 0.73 | — | — | |
| SCHEMBL24246087 | 0.73 | — | — | |
| SCHEMBL24092102 | 0.73 | — | — | |
| Water SCHEMBL10486150 | 0.71 | — | — | |
| SCHEMBL15346991 | 0.71 | — | — | |
| SCHEMBL27197660 | 0.69 | ADH1B (0.33) | — | |
| SCHEMBL22336923 | 0.69 | — | — | |
| SCHEMBL24245920 | 0.69 | PRMT3 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0144735-A1 | Method and catalyst for making bisphenol | GENERAL ELECTRIC COMPANY (US) | 1985-06-19 | — | — | EP | disclosed |