⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22230615 | 0.80 | — | — | |
| SCHEMBL28628764 | 0.80 | — | — | |
| SCHEMBL818784 | 0.72 | — | — | |
| SCHEMBL818785 | 0.72 | — | — | |
| SCHEMBL4968108 | 0.72 | — | — | |
| SCHEMBL762516 | 0.72 | — | — | |
| SCHEMBL742333 | 0.72 | — | — | |
| SCHEMBL14456626 | 0.72 | — | — | |
| SCHEMBL7289774 | 0.70 | — | — | |
| SCHEMBL240310 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017012970-A2 | PESTICIDALLY ACTIVE PYRAZOLE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2017-01-26 | — | — | WO | disclosed |
| US-20140107133-A1 | 3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL(2,3,4,5,6-PENTAHYDROXYHEXYL)AMINO)ETHOXY)PHENYL)BUTYL)CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDE | PARION SCIENCES, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| WO-2011050325-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-28 | — | — | WO | disclosed |