⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13838459 | 0.80 | ABCB1 (0.36) | — | |
| SCHEMBL13838527 | 0.70 | IL2 (0.36) | — | |
| SCHEMBL16677944 | 0.56 | RAB9A (0.53) | — | |
| SCHEMBL13728018 | 0.55 | DYRK1A (0.49) | — | |
| SCHEMBL1825278 | 0.53 | ALDH1A1 (0.58) | — | |
| SCHEMBL24969499 | 0.52 | KMT2A (0.60) | — | |
| SCHEMBL27448525 | 0.51 | PTK2 (0.51) | — | |
| SCHEMBL28286246 | 0.51 | PTK2 (0.54) | — | |
| SCHEMBL27418247 | 0.51 | HCAR3 (0.55) | — | |
| SCHEMBL22193254 | 0.50 | TDO2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012151355-A1 | COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES | SYNTA PHARMACEUTICALS CORP. (US) | 2012-11-08 | — | — | WO | disclosed |