⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28484282 | 0.77 | — | — | |
| SCHEMBL1538579 | 0.75 | — | — | |
| SCHEMBL7872861 | 0.75 | — | — | |
| SCHEMBL665337 | 0.73 | — | — | |
| SCHEMBL10994703 | 0.73 | — | — | |
| SCHEMBL27612172 | 0.73 | — | — | |
| SCHEMBL10756606 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL11200549 | 0.71 | — | — | |
| SCHEMBL17183622 | 0.71 | — | — | |
| SCHEMBL7872325 | 0.71 | — | — |
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-4182915-A | PHENOL FROM BENZENE BY REACTION OF THALLIUM/III/ METALLATE WITH HYDROXYL DONOR | HALCON INTERNATIONAL, INC. (US) | 1980-01-08 | — | — | US | disclosed |