⚠ 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 SCHEMBL31452106 | 0.97 | HTR1D (0.32) | — | |
| SCHEMBL22519740 | 0.84 | HTR1B (0.39) | — | |
| SCHEMBL18472265 | 0.79 | HTR1D (0.31) | — | |
| SCHEMBL13677197 | 0.77 | CETP (0.31) | — | |
| SCHEMBL15256800 | 0.77 | HTR1B (0.36) | — | |
| SCHEMBL22435199 | 0.77 | — | — | |
| SCHEMBL20560999 | 0.77 | — | — | |
| SCHEMBL16256526 | 0.74 | HTR1D (0.34) | — | |
| SCHEMBL15256789 | 0.74 | HTR1D (0.34) | — | |
| SCHEMBL1140061 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3642209-B1 | COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | SHY Therapeutics LLC (US) | 2023-11-29 | — | — | EP | disclosed |
| US-20230331719-A1 | Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same | OPTIKIRA LLC (US) | 2023-10-19 | — | — | US | disclosed |
| US-20200315174-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2020-10-08 | — | — | US | disclosed |
| WO-2020186199-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | CALICO LIFE SCIENCES LLC (US) | 2020-09-17 | — | — | WO | disclosed |
| US-9790210-B2 | N-(monocyclic aryl),N'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors | ARRAY BIOPHARMA INC. (US) | 2017-10-17 | — | — | US | disclosed |
| US-20160280692-A1 | N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2016-09-29 | — | — | US | disclosed |