⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9471483 | 1.00 | — | — | |
| SCHEMBL9127585 | 1.00 | — | — | |
| SCHEMBL9471293 | 1.00 | — | — | |
| SCHEMBL9470589 | 1.00 | — | — | |
| SCHEMBL9470816 | 0.87 | — | — | |
| SCHEMBL22144569 | 0.85 | — | — | |
| SCHEMBL12852304 | 0.81 | — | — | |
| SCHEMBL9470607 | 0.80 | — | — | |
| SCHEMBL12852328 | 0.79 | — | — | |
| SCHEMBL9871708 | 0.77 | DUT (0.30) | — |
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-5246931-A | Triazine-substituted cyclobutane derivatives; viricides; side effect reduction | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-09-21 | — | — | US | disclosed |