⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8596797 | 1.00 | — | — | |
| SCHEMBL8575926 | 1.00 | — | — | |
| SCHEMBL7366441 | 0.80 | GLA (0.34) | — | |
| SCHEMBL7344198 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL28468424 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL7343774 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL18045393 | 0.69 | — | — | |
| SCHEMBL11002287 | 0.68 | ALOX15 (0.34) | — | |
| SCHEMBL21058287 | 0.67 | — | — | |
| SCHEMBL21058288 | 0.67 | KDM4E (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5808112-A | Preparation of cis-4-O-protected-2-cyclopentenol derivatives | HOECHST MARION ROUSSEL INC. (US) | 1998-09-15 | — | — | US | disclosed |
| US-5728899-A | Preparation of cis-4-O-protected-2-cyclopentenol derivatives | HOECHST MARION ROUSSEL INC. (US) | 1998-03-17 | — | — | US | disclosed |