⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43356 | 0.74 | GPR35 (0.38) | — | |
| SCHEMBL7760580 | 0.73 | — | — | |
| SCHEMBL25690531 | 0.73 | — | — | |
| SCHEMBL21544010 | 0.73 | — | — | |
| SCHEMBL266568 | 0.73 | — | — | |
| SCHEMBL25433762 | 0.73 | — | — | |
| SCHEMBL4111984 | 0.73 | — | — | |
| SCHEMBL3585568 | 0.73 | — | — | |
| SCHEMBL27658163 | 0.72 | LMNA (0.35) | — | |
| SCHEMBL31668869 | 0.71 | LMNA (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 |
|---|---|---|---|---|---|---|---|
| CN-101146533-A | Combinations of pyrazole kinase inhibitors and further antitumor agents | ASTEX THERAPEUTICS LTD (GB) | 2008-03-19 | — | — | CN | disclosed |
| CN-101146531-A | Pharmaceutical compounds | ASTEX THERAPEUTICS LTD (GB) | 2008-03-19 | — | — | CN | disclosed |