⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10625541 | 0.65 | KMT2A (0.33) | — | |
| SCHEMBL8960176 | 0.64 | — | — | |
| SCHEMBL3305679 | 0.59 | — | — | |
| SCHEMBL11560070 | 0.57 | FAAH (0.38) | — | |
| SCHEMBL22700995 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL21410483 | 0.57 | FAAH (0.38) | — | |
| SCHEMBL10984195 | 0.56 | POLB (0.33) | — | |
| SCHEMBL11325829 | 0.54 | MEN1 (0.40) | — | |
| SCHEMBL4936645 | 0.53 | HRH3 (0.39) | — | |
| SCHEMBL4936655 | 0.53 | HRH3 (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-0693058-A1 | IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES | OXFORD ASYMMETRY LIMITED (GB) | 1996-01-24 | — | — | EP | disclosed |
| WO-1994024104-A1 | IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES | OXFORD ASYMMETRY LIMITED (GB) | 1994-10-27 | — | — | WO | disclosed |