⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7648758 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL10689080 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL10688512 | 0.86 | FAAH (0.37) | — | |
| SCHEMBL10692574 | 0.84 | — | — | |
| SCHEMBL5365306 | 0.77 | — | — | |
| SCHEMBL10833196 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL27737613 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL7470259 | 0.69 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL6705010 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL7470267 | 0.69 | TSHR (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4788277-A | OXIDATIVE COUPLING, CATALYST CONTAINING COPPER, DIAMINE, HALOGEN | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1988-11-29 | — | — | US | disclosed |
| EP-0059958-B1 | PROCESS FOR PRODUCING POLYPHENYLENE OXIDE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-06-04 | — | — | EP | disclosed |
| US-4385168-A | FROM OXIDATIVE POLYMERIZATION OF PHENOLIC MONOMER IN PRESENCE OF MANGANIUM SALT AND HYDROXYAZO AROMATIC COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1983-05-24 | — | — | US | disclosed |