⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3004140 | 0.79 | NFKB1 (0.36) | — | |
| SCHEMBL3852710 | 0.79 | IGF1R (0.41) | — | |
| SCHEMBL4517729 | 0.78 | PAK1 (0.44) | — | |
| SCHEMBL2207310 | 0.78 | APP (0.46) | — | |
| SCHEMBL2204764 | 0.78 | IGF1R (0.41) | — | |
| SCHEMBL589661 | 0.77 | IGF1R (0.46) | — | |
| SCHEMBL4073673 | 0.77 | IGF1R (0.43) | — | |
| SCHEMBL588427 | 0.77 | KMT2A (0.47) | — | |
| SCHEMBL1164979 | 0.77 | PAK4 (0.46) | — | |
| SCHEMBL3340680 | 0.76 | NTRK1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1686999-B1 | PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES | ASTRAZENECA AB (SE) | 2009-07-01 | — | — | EP | disclosed |