⚠ 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 | |
|---|---|---|---|---|
| Parachlorophenol SCHEMBL28864 | 0.96 | — | — | |
| Parachlorophenol SCHEMBL7730292 | 0.96 | MAPK1 (0.65) | — | |
| Parachlorophenol SCHEMBL6119005 | 0.96 | MAPK1 (0.65) | — | |
| Parachlorophenol SCHEMBL30086664 | 0.96 | — | — | |
| Parachlorophenol SCHEMBL5444115 | 0.93 | — | — | |
| Parachlorophenol SCHEMBL22437500 | 0.93 | — | — | |
| Parachlorophenol SCHEMBL1895044 | 0.93 | — | — | |
| Parachlorophenol SCHEMBL11578281 | 0.93 | — | — | |
| Parachlorophenol SCHEMBL10549360 | 0.93 | — | — | |
| Parachlorophenol SCHEMBL6012166 | 0.93 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4390739-A | Hydroxylation of olefins | EXXON RESEARCH & ENGINEERING CO. (US) | 1983-06-28 | — | — | US | disclosed |
| EP-0077201-A2 | Hydroxylation of olefins | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1983-04-20 | — | — | EP | disclosed |