⚠ 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 | |
|---|---|---|---|---|
| Amitrole SCHEMBL788110 | 0.97 | HSP90AA1 (0.33) | — | |
| Amitrole SCHEMBL31379743 | 0.94 | — | — | |
| Amitrole SCHEMBL8468142 | 0.94 | — | — | |
| Amitrole SCHEMBL11334832 | 0.94 | — | — | |
| Amitrole SCHEMBL29257233 | 0.94 | — | — | |
| Amitrole SCHEMBL11302855 | 0.94 | — | — | |
| Amitrole SCHEMBL9533297 | 0.87 | — | — | |
| Amitrole SCHEMBL7525470 | 0.78 | — | — | |
| 2-Aminopyridine SCHEMBL2239232 | 0.76 | NOS3 (0.61) | — | |
| Alanine SCHEMBL10952534 | 0.76 | CYP1A2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4866723-A | DCPBH laser having a high temperature stability | U.S. PHILIPS CORP. (US) | 1989-09-12 | — | — | US | disclosed |