⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9564065 | 0.86 | ALDH1A1 (0.50) | — | |
| SCHEMBL2704321 | 0.81 | GPR84 (0.56) | — | |
| SCHEMBL28530156 | 0.76 | POLB (0.41) | — | |
| SCHEMBL8715725 | 0.74 | — | — | |
| SCHEMBL2389713 | 0.73 | — | — | |
| SCHEMBL9540714 | 0.73 | — | — | |
| SCHEMBL1222204 | 0.73 | CYP2D6 (0.50) | — | |
| SCHEMBL10633565 | 0.72 | CYP2D6 (0.37) | — | |
| SCHEMBL31536491 | 0.70 | CYP2D6 (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL10962239 | 0.70 | CYP2D6 (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0252474-B1 | HYDRAZINE DERIVATIVES | AMERICAN CYANAMID COMPANY (US) | 1993-04-21 | — | — | EP | disclosed |
| EP-0525832-A1 | Substituted 1,2,3- thiadiazole-4-thiolates | AMERICAN CYANAMID COMPANY (US) | 1993-02-03 | — | — | EP | 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 |