⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4829929 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL4917394 | 0.68 | — | — | |
| SCHEMBL19490697 | 0.65 | — | — | |
| SCHEMBL22852655 | 0.63 | — | — | |
| SCHEMBL730483 | 0.62 | — | — | |
| SCHEMBL12149824 | 0.62 | — | — | |
| SCHEMBL11479438 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL6537201 | 0.62 | — | — | |
| SCHEMBL19825250 | 0.61 | TSHR (0.31) | — | |
| SCHEMBL22570324 | 0.60 | — | — |
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-20200261455-A1 | INHIBITORS OF MUTANT FAMILY TYROSINE-KINASES | SPECTRUM PHARMACEUTICALS, INC. | 2020-08-20 | — | — | US | disclosed |