⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14087223 | 1.00 | — | — | |
| SCHEMBL1262673 | 1.00 | — | — | |
| SCHEMBL19256280 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL3833898 | 0.95 | CYP3A4 (0.43) | — | |
| Chloromethane SCHEMBL4688989 | 0.95 | CYP3A4 (0.39) | — | |
| SCHEMBL55792 | 0.92 | — | — | |
| SCHEMBL15471499 | 0.92 | — | — | |
| SCHEMBL11177573 | 0.80 | CYP3A4 (0.55) | — | |
| SCHEMBL15484174 | 0.77 | — | — | |
| SCHEMBL3879309 | 0.75 | CYP3A4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210380574-A1 | ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | VANDERBILT UNIVERSITY | 2021-12-09 | — | — | US | disclosed |
| EP-1021426-B1 | CATALYTIC ASYMMETRIC EPOXIDATION | UNIV COLORADO STATE RES FOUND (US) | 2003-09-17 | — | — | EP | disclosed |
| US-6348608-B1 | ADDING OXIDIZING AGENT TO REACTION SOLUTION COMPRISING CHIRAL CYCLIC ENANTIOMERICALLY ENRICHED KETONE AND OLEFIN UNDER CONDITIONS EFFECTIVE TO GENERATE ENANTIOMERICALLY ENRICHED EPOXIDE, SEPARATING EPOXIDE FROM REACTION SOLUTION | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION | 2002-02-19 | — | — | US | disclosed |