⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4969556 | 0.96 | ADRA2C (0.33) | — | |
| SCHEMBL4969550 | 0.96 | ADRA2C (0.33) | — | |
| SCHEMBL949339 | 0.94 | ADRA2C (0.36) | — | |
| SCHEMBL7477075 | 0.89 | CHKA (0.33) | — | |
| SCHEMBL946307 | 0.85 | CXCR4 (0.38) | — | |
| SCHEMBL7469422 | 0.84 | HRH3 (0.35) | — | |
| SCHEMBL949544 | 0.84 | HRH3 (0.33) | — | |
| SCHEMBL7464025 | 0.84 | KDM4E (0.33) | — | |
| SCHEMBL7470746 | 0.81 | KDM4E (0.42) | — | |
| SCHEMBL7475517 | 0.79 | PARP1 (0.30) | — |
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-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | WO | claimed |
| WO-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | WO | disclosed |