⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5034843 | 0.69 | — | — | |
| SCHEMBL25419134 | 0.68 | — | — | |
| SCHEMBL809093 | 0.62 | ESR1 (0.35) | — | |
| SCHEMBL8583721 | 0.58 | ESR2 (0.32) | — | |
| Hydroquinone SCHEMBL3526364 | 0.54 | LMNA (0.61) | — | |
| Hydroquinone SCHEMBL30088597 | 0.54 | LMNA (0.61) | — | |
| Hydroquinone SCHEMBL17202556 | 0.53 | CYP3A4 (0.73) | — | |
| Hydroquinone SCHEMBL9580215 | 0.53 | ESR1 (0.68) | — | |
| SCHEMBL28954 | 0.53 | ESR1 (0.68) | — | |
| SCHEMBL8763181 | 0.53 | ESR2 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3966785-A | Process for the preparation of bisphenol bischlorocarbonic acid esters | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | claimed |
| US-5846659-A | UV-protected, multilayer polycarbonate sheets | BAYER AKTIENGESELLSCHAFT (DE) | 1998-12-08 | — | — | US | disclosed |
| US-5627256-A | STABILIZER | BAYER AG (DE) | 1997-05-06 | — | — | US | disclosed |
| US-3966785-A | Process for the preparation of bisphenol bischlorocarbonic acid esters | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | disclosed |