⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8795481 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL24439554 | 0.54 | — | — | |
| SCHEMBL2523197 | 0.50 | CYP1A2 (0.39) | — | |
| SCHEMBL10651199 | 0.50 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL15528301 | 0.49 | ALDH1A1 (0.41) | — | |
| SCHEMBL31569009 | 0.49 | MAPT (0.36) | — | |
| SCHEMBL16469649 | 0.47 | VCAM1 (0.36) | — | |
| SCHEMBL24871972 | 0.46 | IRAK4 (0.35) | — | |
| SCHEMBL24375510 | 0.45 | IRAK4 (0.34) | — | |
| SCHEMBL23107315 | 0.45 | IRAK4 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0562061-B1 | HAIR-DYEING AGENT CONTAINING AMINOPYRAZOLE DERIVATIVES, AND NEW PYRAZOLE DERIVATIVES | WELLA AG (DE) | 1997-01-22 | — | — | EP | claimed |
| EP-0808306-A1 | NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024586-A1 | NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1996-08-15 | — | — | WO | disclosed |