⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19196451 | 0.78 | — | — | |
| SCHEMBL18457871 | 0.63 | BRD4 (0.30) | — | |
| SCHEMBL460791 | 0.56 | ITGB3 (0.30) | — | |
| SCHEMBL14733972 | 0.56 | — | — | |
| SCHEMBL12160740 | 0.56 | — | — | |
| SCHEMBL357257 | 0.56 | — | — | |
| SCHEMBL20614486 | 0.54 | CREBBP (0.52) | — | |
| SCHEMBL18103919 | 0.54 | — | — | |
| SCHEMBL25015001 | 0.54 | — | — | |
| SCHEMBL6935363 | 0.54 | — | — |
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-20170218000-A1 | PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS | ARIAD PHARMACEUTICALS, INC. | 2017-08-03 | — | — | US | disclosed |