⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8422592 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL3111004 | 0.98 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL10590969 | 0.98 | ALDH1A1 (0.43) | — | |
| SCHEMBL349079 | 0.85 | — | — | |
| SCHEMBL10715978 | 0.80 | — | — | |
| SCHEMBL1003504 | 0.78 | — | — | |
| SCHEMBL7645433 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL1888581 | 0.76 | — | — | |
| SCHEMBL15911050 | 0.74 | OPRM1 (0.46) | — | |
| Phosphonic Acid SCHEMBL28856672 | 0.74 | TP53 (0.47) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002100871-A1 | NEW COMPOUNDS USEFUL IN REFLUX DISEASE | ASTRAZENECA AB (SE) | 2002-12-19 | — | — | WO | claimed |
| EP-0352508-A1 | Herbicidal composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-01-31 | — | — | EP | claimed |
| WO-2008138088-A2 | SOLID AND WATER-SOLUBLE GLUPHOSINATE FOR HERBICIDE FORMULATION, PRODUCTION PROCESS THEREFOR, AND PROCESS FOR CONTROLLING WEEDS | AMARAL REMER RICARDO (BR) | 2008-11-20 | — | — | WO | disclosed |
| WO-2002100871-A1 | NEW COMPOUNDS USEFUL IN REFLUX DISEASE | ASTRAZENECA AB (SE) | 2002-12-19 | — | — | WO | disclosed |
| EP-0283152-A2 | Process for the preparation of substituted cyclohexane-1,3,5-triones | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-21 | — | — | EP | disclosed |
| EP-0248554-A2 | Heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-12-09 | — | — | EP | disclosed |
| EP-0229034-A2 | Hexopyranoses and compositions for agricultural use | HER MAJESTY THE QUEEN in right of New Zealand Department of Scientific and Industrial Research (NZ) | 1987-07-15 | — | — | EP | disclosed |