⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11355149 | 0.75 | — | — | |
| SCHEMBL11351849 | 0.72 | ACHE (0.34) | — | |
| SCHEMBL11353960 | 0.71 | — | — | |
| Durohydroquinone SCHEMBL69786 | 0.67 | ALOX5 (0.38) | — | |
| SCHEMBL31146654 | 0.67 | — | — | |
| SCHEMBL11353424 | 0.67 | MEN1 (0.35) | — | |
| SCHEMBL11347995 | 0.67 | CYP3A4 (0.41) | — | |
| SCHEMBL397768 | 0.64 | ALOX5 (0.36) | — | |
| SCHEMBL11353335 | 0.62 | CA1 (0.44) | — | |
| SCHEMBL7709432 | 0.62 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0001910-B1 | PREPARATION OF 4,4'-DIHYDROXY STILBENES OR DERIVATIVES THEREOF | MONSANTO COMPANY (US) | 1981-09-02 | — | — | EP | disclosed |
| EP-0001909-B1 | PREPARATION OF 1,2-BIS(4-HYDROXYARYL)ETHANES BY ONE-STEP DEHYDROHALOGENATION-REARRANGEMENT-HYDROGENATION OF 1,1-BIS(4-HYDROXYARYL)-2-HALOETHANES, WHICH MAY BE FOLLOWED BY ACYLATION | MONSANTO COMPANY (US) | 1981-08-12 | — | — | EP | disclosed |
| US-4189610-A | Preparation of 4,4-dioxy-substituted stilbenes | MONSANTO COMPANY (US) | 1980-02-19 | — | — | US | disclosed |
| US-4156787-A | HYDROGENATION CATALYST | MONSANTO COMPANY (US) | 1979-05-29 | — | — | US | disclosed |
| EP-0001910-A1 | Preparation of 4,4'-dihydroxy stilbenes or derivatives thereof | MONSANTO COMPANY (US) | 1979-05-16 | — | — | EP | disclosed |
| EP-0001909-A1 | Preparation of 1,2-bis(4-hydroxyaryl)ethanes by one-step dehydrohalogenation-rearrangement-hydrogenation of 1,1-bis(4-hydroxyaryl)-2-haloethanes, which may be followed by acylation | MONSANTO COMPANY (US) | 1979-05-16 | — | — | EP | disclosed |