⚠ 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 SCHEMBL44637 | 0.97 | — | — | |
| Amitrole SCHEMBL788110 | 0.97 | HSP90AA1 (0.33) | — | |
| Amitrole SCHEMBL8468142 | 0.94 | — | — | |
| Amitrole SCHEMBL29257233 | 0.94 | — | — | |
| Amitrole SCHEMBL31379743 | 0.94 | — | — | |
| Amitrole SCHEMBL11334832 | 0.94 | — | — | |
| Amitrole SCHEMBL11302855 | 0.94 | — | — | |
| Amitrole SCHEMBL9533297 | 0.87 | — | — | |
| Amitrole SCHEMBL2892139 | 0.83 | — | — | |
| Amitrole SCHEMBL2873666 | 0.81 | HSP90AA1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10889678-B2 | Amine-based porous polymer for selective carbon dioxide capture | KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) | 2021-01-12 | — | — | US | disclosed |
| US-20200239617-A1 | AMINE-BASED POROUS POLYMER FOR SELECTIVE CARBON DIOXIDE CAPTURE | KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) | 2020-07-30 | — | — | US | disclosed |
| US-4937381-A | Herbicidal amides of 4-trifluoromethyl-3'-carboxyl-4'-nitro-diphenyl ethers | ROHM AND HAAS COMPANY (US) | 1990-06-26 | — | — | US | disclosed |