⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36831 | 0.86 | HTR2A (0.31) | — | |
| SCHEMBL3177804 | 0.85 | — | — | |
| SCHEMBL113422 | 0.84 | DRD2 (0.33) | — | |
| SCHEMBL150717 | 0.82 | GABRA1 (0.33) | — | |
| SCHEMBL37311 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL11817701 | 0.77 | POLB (0.32) | — | |
| SCHEMBL7937202 | 0.77 | — | — | |
| SCHEMBL11062584 | 0.77 | — | — | |
| SCHEMBL6043582 | 0.74 | — | — | |
| SCHEMBL1821431 | 0.74 | LPAR1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4450279-A | PHOTOPOLYMERIZATION SENSITIZERS FOR UNSATURATED MONOMERS; RAPID HARDENING; STORAGE STABILITY | NIPPON, KAYAKU, KABUSHIKI, KAISHA (JP) | 1984-05-22 | — | — | US | disclosed |