⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9535804 | 0.82 | KEAP1 (0.32) | — | |
| SCHEMBL16287745 | 0.75 | HCAR2 (0.40) | — | |
| SCHEMBL11620364 | 0.75 | PDE4D (0.38) | — | |
| SCHEMBL11620362 | 0.75 | PDE4D (0.38) | — | |
| SCHEMBL11623438 | 0.73 | MAPT (0.37) | — | |
| SCHEMBL11535863 | 0.72 | MAPT (0.31) | — | |
| SCHEMBL11535864 | 0.72 | MAPT (0.31) | — | |
| SCHEMBL11538928 | 0.72 | — | — | |
| SCHEMBL11538926 | 0.72 | — | — | |
| SCHEMBL22278866 | 0.72 | PDE4D (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0362816-B1 | Cyclopenteneheptanoic acid derivatives and method of preparation thereof | SEARLE & CO (US) | 1993-11-18 | — | — | EP | disclosed |
| US-4952710-A | STARTING MATERIAL FOR OPTICALLY ACTIVE PROSTAGLANDINS | G. D. SEARLE & CO. (US) | 1990-08-28 | — | — | US | disclosed |