⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17730390 | 0.67 | — | — | |
| SCHEMBL17157487 | 0.67 | — | — | |
| SCHEMBL1431147 | 0.67 | — | — | |
| SCHEMBL580953 | 0.67 | — | — | |
| SCHEMBL6427950 | 0.67 | — | — | |
| SCHEMBL8508693 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL10805737 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL933129 | 0.62 | — | — | |
| SCHEMBL930057 | 0.62 | — | — | |
| SCHEMBL2230207 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070225333-A1 | 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor | BRYANS JUSTIN S | 2007-09-27 | — | — | US | disclosed |
| EP-1742932-A1 | 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR | Pfizer Limited (GB) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005105779-A1 | 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR | PFIZER LIMITED (GB) | 2005-11-10 | — | — | WO | disclosed |
| US-5817652-A | ATHEROSCLEROSIS | GLAXO WELLCOME INC. (US) | 1998-10-06 | — | — | US | disclosed |
| EP-0372262-A1 | Method for the destillative processing of mixtures containing side chain chlorinated alkylaromatics | BAYER AG (DE) | 1990-06-13 | — | — | EP | disclosed |