⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14843947 | 0.82 | — | — | |
| SCHEMBL1521247 | 0.82 | — | — | |
| SCHEMBL11725842 | 0.77 | VCAM1 (0.45) | — | |
| SCHEMBL20448751 | 0.77 | CYP11B2 (0.38) | — | |
| SCHEMBL8922148 | 0.77 | HCAR2 (0.53) | — | |
| SCHEMBL356245 | 0.75 | — | — | |
| SCHEMBL2321463 | 0.72 | HDAC1 (0.41) | — | |
| SCHEMBL2320062 | 0.72 | GRM5 (0.50) | — | |
| SCHEMBL936524 | 0.69 | CYP11B1 (0.47) | — | |
| SCHEMBL28184881 | 0.67 | CYP11B1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0561782-B1 | PROCESS FOR PREPARATION OF AROMATIC THIOL ESTERS | ROHM & HAAS (US) | 1996-04-17 | — | — | EP | claimed |
| US-3931142-A | Heterocyclic containing disazo compounds | CIBA-GEIGY AG (CH) | 1976-01-06 | — | — | US | claimed |
| US-3931142-A | Heterocyclic containing disazo compounds | CIBA-GEIGY AG (CH) | 1976-01-06 | — | — | US | disclosed |