⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL990825 | 0.83 | CYP2A6 (0.39) | — | |
| SCHEMBL12004479 | 0.78 | HCAR2 (0.33) | — | |
| SCHEMBL1832864 | 0.77 | LMNA (0.43) | — | |
| SCHEMBL989535 | 0.75 | CYP2A6 (0.52) | — | |
| SCHEMBL3597375 | 0.74 | RAB9A (0.41) | — | |
| SCHEMBL501228 | 0.71 | CYP2A6 (0.39) | — | |
| SCHEMBL8632924 | 0.71 | MAOA (0.35) | — | |
| SCHEMBL17626014 | 0.70 | KMO (0.49) | — | |
| SCHEMBL16720101 | 0.69 | HSD17B1 (0.52) | — | |
| SCHEMBL8303074 | 0.69 | KDM1A (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011008788-A1 | FLUORO-SUBSTITUTED COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USE THEREOF | ZHANG DAWEI (US) | 2011-01-20 | — | — | WO | claimed |
| WO-2011008788-A1 | FLUORO-SUBSTITUTED COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USE THEREOF | ZHANG DAWEI (US) | 2011-01-20 | — | — | WO | disclosed |