⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7102947 | 0.69 | — | — | |
| SCHEMBL7109334 | 0.69 | — | — | |
| SCHEMBL1817878 | 0.67 | — | — | |
| SCHEMBL12879482 | 0.67 | — | — | |
| SCHEMBL6007420 | 0.65 | — | — | |
| SCHEMBL27602658 | 0.61 | — | — | |
| SCHEMBL28015548 | 0.59 | — | — | |
| SCHEMBL29135162 | 0.59 | — | — | |
| SCHEMBL4812696 | 0.59 | OPRM1 (0.33) | — | |
| SCHEMBL3976261 | 0.59 | — | — |
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-6414200-B1 | CONTACTING MIXTURE COMPRISING HYDROXYAROMATIC COMPOUND AND KETONE OR ALDEHYDE WITH ACIDIC CATALYST AT SPECIFIED TEMPERATURE IN PRESENCE OF SILYLMETHANETHIOL PROMOTER TO MAKE BISPHENOL | GENERAL ELECTRIC COMPANY | 2002-07-02 | — | — | US | claimed |