⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5612966 | 0.78 | CYP2D6 (0.36) | — | |
| SCHEMBL21373887 | 0.71 | — | — | |
| SCHEMBL10796851 | 0.71 | — | — | |
| SCHEMBL28950685 | 0.69 | — | — | |
| SCHEMBL7095408 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL31325252 | 0.68 | — | — | |
| SCHEMBL11884169 | 0.68 | — | — | |
| SCHEMBL9384551 | 0.66 | — | — | |
| SCHEMBL7281073 | 0.66 | — | — | |
| SCHEMBL8779775 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0637294-B1 | POLYMERIZATION INHIBITOR FOR VINYL AROMATICS | UNIROYAL CHEM CO INC (US) | 1998-07-29 | — | — | EP | disclosed |