⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4135812 | 0.82 | — | — | |
| Bromide SCHEMBL2180760 | 0.80 | — | — | |
| SCHEMBL11043290 | 0.79 | DNM1 (0.38) | — | |
| SCHEMBL11049100 | 0.78 | DNM1 (0.36) | — | |
| SCHEMBL6050677 | 0.77 | CYP2D6 (0.38) | — | |
| SCHEMBL2485367 | 0.77 | FDPS (0.33) | — | |
| SCHEMBL326026 | 0.75 | CYP2D6 (0.32) | — | |
| Bromide SCHEMBL22398204 | 0.73 | CYP2D6 (0.30) | — | |
| Bromide SCHEMBL29265109 | 0.73 | CYP2D6 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL16280583 | 0.73 | CYP2D6 (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-4452921-A | REACTING ISOCYANATES AND POLYOLS WITH AMINE SALT CATALYSTS IN PRESENCE OF BLOWING AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1984-06-05 | — | — | US | disclosed |