⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9862148 | 0.82 | ADH1C (0.33) | — | |
| SCHEMBL835196 | 0.82 | — | — | |
| SCHEMBL6966069 | 0.79 | — | — | |
| SCHEMBL6655771 | 0.77 | NCF1 (0.39) | — | |
| SCHEMBL24220857 | 0.76 | — | — | |
| SCHEMBL3490832 | 0.76 | — | — | |
| SCHEMBL6973232 | 0.75 | MEN1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL23302221 | 0.74 | GNAI3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL23302220 | 0.74 | GNAI3 (0.32) | — | |
| SCHEMBL6661971 | 0.74 | SIGMAR1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230322785-A1 | ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY | MERCK SHARP & DOHME LLC (US) | 2023-10-12 | — | — | US | disclosed |
| EP-0870765-B1 | AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS | ZERIA PHARM CO LTD (JP) | 2003-11-19 | — | — | EP | disclosed |
| US-5981557-A | HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 1999-11-09 | — | — | US | disclosed |
| EP-0870765-A1 | AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-14 | — | — | EP | disclosed |