⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL820768 | 0.72 | KMT2A (0.35) | — | |
| SCHEMBL21720321 | 0.70 | — | — | |
| SCHEMBL21720492 | 0.70 | — | — | |
| SCHEMBL21720117 | 0.70 | — | — | |
| SCHEMBL21718706 | 0.70 | — | — | |
| SCHEMBL24191338 | 0.70 | TDO2 (0.34) | — | |
| SCHEMBL21720485 | 0.67 | — | — | |
| SCHEMBL24498584 | 0.67 | — | — | |
| SCHEMBL7238819 | 0.65 | — | — | |
| SCHEMBL25111071 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4803280-A | Substituted 1,2,3-thia-diazole-4-thiolates | AMERICAN CYANAMID COMPANY (US) | 1989-02-07 | — | — | US | claimed |
| EP-1833793-B1 | PROCESS FOR THE PREPARATION OF A 2-ETHYLAMINOPYRIDINE DERIVATIVE | BAYER CROPSCIENCE AG (DE) | 2010-12-08 | — | — | EP | disclosed |
| EP-0525832-A1 | Substituted 1,2,3- thiadiazole-4-thiolates | AMERICAN CYANAMID COMPANY (US) | 1993-02-03 | — | — | EP | disclosed |
| US-4927922-A | ANTIBIOTICS | AMERICAN CYANAMID COMPANY (US) | 1990-05-22 | — | — | US | disclosed |
| US-4916237-A | Substituted 1,2,3-thiadiazole-4-thiolates | AMERICAN CYANAMID COMPANY (US) | 1990-04-10 | — | — | US | disclosed |
| US-4803280-A | Substituted 1,2,3-thia-diazole-4-thiolates | AMERICAN CYANAMID COMPANY (US) | 1989-02-07 | — | — | US | disclosed |
| EP-0252474-A2 | Hydrazine derivatives | AMERICAN CYANAMID COMPANY (US) | 1988-01-13 | — | — | EP | disclosed |