⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2002992 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL11023410 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL17113652 | 0.64 | TRIM24 (0.36) | — | |
| SCHEMBL4856995 | 0.64 | — | — | |
| SCHEMBL7290529 | 0.64 | ALDH1A1 (0.34) | — | |
| SCHEMBL6173406 | 0.63 | — | — | |
| SCHEMBL1177140 | 0.61 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL664740 | 0.58 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL9586103 | 0.57 | APAF1 (0.35) | — | |
| SCHEMBL9660132 | 0.57 | ALDH1A1 (0.33) | — |
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-0491887-A1 | CYCLIC CHIRAL COMPOUNDS | THE BRITISH PETROLEUM COMPANY P.L.C. (GB) | 1992-07-01 | — | — | EP | disclosed |
| WO-1991018910-A1 | CYCLIC CHIRAL COMPOUNDS | THE BRITISH PETROLEUM COMPANY PLC (GB) | 1991-12-12 | — | — | WO | disclosed |