⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31261818 | 0.97 | ALDH1A1 (0.48) | — | |
| SCHEMBL947101 | 0.81 | ALDH1A1 (0.53) | — | |
| SCHEMBL949427 | 0.78 | ALDH1A1 (0.58) | — | |
| SCHEMBL6738709 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL6740183 | 0.73 | ALDH1A1 (0.52) | — | |
| SCHEMBL1964310 | 0.71 | — | — | |
| SCHEMBL23085616 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL6456132 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL4422406 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL7943907 | 0.69 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5446203-A | Synthesis of haloenones and aryl or alkyl substituted enones or alkenes | NEW YORK UNIVERSITY (US) | 1995-08-29 | — | — | US | disclosed |
| EP-0656878-A4 | SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES. | — | 1995-07-05 | — | — | EP | disclosed |
| EP-0656878-A1 | SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES | NEW YORK UNIVERSITY (US) | 1995-06-14 | — | — | EP | disclosed |
| WO-1994005617-A1 | SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES | NEW YORK UNIVERSITY (US) | 1994-03-17 | — | — | WO | disclosed |