⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL171969 | 0.75 | — | — | |
| SCHEMBL3796373 | 0.70 | CA1 (0.43) | — | |
| SCHEMBL13125935 | 0.68 | KMT2A (0.46) | — | |
| SCHEMBL1851994 | 0.64 | — | — | |
| SCHEMBL10882169 | 0.59 | — | — | |
| SCHEMBL12797131 | 0.57 | CYP2A6 (0.42) | — | |
| SCHEMBL2404179 | 0.56 | CA1 (0.35) | — | |
| SCHEMBL12475098 | 0.56 | L3MBTL1 (0.41) | — | |
| SCHEMBL2342739 | 0.56 | — | — | |
| SCHEMBL11427602 | 0.55 | — | — |
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-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 |