⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10690745 | 0.84 | — | — | |
| SCHEMBL7648758 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL11074654 | 0.80 | — | — | |
| SCHEMBL10689080 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL176316 | 0.78 | — | — | |
| SCHEMBL10688512 | 0.78 | FAAH (0.37) | — | |
| SCHEMBL10441133 | 0.75 | — | — | |
| SCHEMBL30829880 | 0.75 | — | — | |
| SCHEMBL862003 | 0.73 | — | — | |
| SCHEMBL10865916 | 0.72 | ALDH1A1 (0.34) | — |
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-4788277-A | OXIDATIVE COUPLING, CATALYST CONTAINING COPPER, DIAMINE, HALOGEN | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1988-11-29 | — | — | US | disclosed |
| US-4588806-A | Polyphenylene ether resins having bimodal molecular weight distributions and method of their formation | GENERAL ELECTRIC COMPANY (US) | 1986-05-13 | — | — | US | disclosed |