⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL936835 | 0.81 | — | — | |
| SCHEMBL6967346 | 0.78 | — | — | |
| SCHEMBL9452547 | 0.78 | HDAC3 (0.32) | — | |
| SCHEMBL12967384 | 0.76 | — | — | |
| SCHEMBL11714151 | 0.76 | — | — | |
| SCHEMBL11286301 | 0.75 | LMNA (0.34) | — | |
| SCHEMBL20228426 | 0.74 | — | — | |
| SCHEMBL12967673 | 0.74 | PHF8 (0.52) | — | |
| SCHEMBL1303421 | 0.74 | — | — | |
| SCHEMBL9762998 | 0.74 | — | — |
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-4329363-A | Substituted mercapto acid amides and their use | MERCK & CO., INC. (US) | 1982-05-11 | — | — | US | disclosed |
| EP-0048044-A1 | Phenyl piperazine derivatives having antiagressive activity | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1982-03-24 | — | — | EP | disclosed |
| US-4216160-A | IMMUNOREGULANTS FOR CORRECTING AN INBALANCE OF IMMUNE HOMEOSTASIS | MERCK & CO., INC. (US) | 1980-08-05 | — | — | US | disclosed |
| EP-0001989-A1 | Substituted mercapto acid amides, process for their preparation, pharmaceutical composition containing same and their use | MERCK & CO. INC. (US) | 1979-05-30 | — | — | EP | disclosed |