⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3455764 | 0.81 | — | — | |
| SCHEMBL4470989 | 0.78 | — | — | |
| SCHEMBL17231287 | 0.76 | — | — | |
| SCHEMBL19506977 | 0.76 | — | — | |
| SCHEMBL28604256 | 0.76 | CA2 (0.32) | — | |
| SCHEMBL17231294 | 0.74 | — | — | |
| SCHEMBL16444727 | 0.74 | — | — | |
| SCHEMBL15786352 | 0.74 | — | — | |
| SCHEMBL403248 | 0.74 | — | — | |
| SCHEMBL31039392 | 0.73 | — | — |
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-8680327-B2 | Methods for manufacturing tetranor-prostaglandin D, J, E, A and F metabolites | CAYMAN CHEMICAL COMPANY, INCORPORATED (US) | 2014-03-25 | — | — | US | disclosed |
| US-20120041229-A1 | METHODS FOR MANUFACTURING TETRANOR-PROSTAGLANDIN D, J, E, A AND F METABOLITES | CAYMAN CHEMICAL COMPANY, INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| US-4292444-A | Sulfonyl prostaglandin carboxamide derivatives | PFIZER INC. (US) | 1981-09-29 | — | — | US | disclosed |