⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8960315 | 0.69 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL23436808 | 0.68 | NAAA (0.41) | — | |
| SCHEMBL8960171 | 0.64 | — | — | |
| SCHEMBL10625541 | 0.64 | KMT2A (0.33) | — | |
| SCHEMBL25191422 | 0.62 | ACE (0.36) | — | |
| SCHEMBL25191423 | 0.62 | ACE (0.36) | — | |
| SCHEMBL27676776 | 0.61 | — | — | |
| SCHEMBL16122875 | 0.60 | BTK (0.35) | — | |
| SCHEMBL25364644 | 0.60 | RECQL (0.47) | — | |
| SCHEMBL10790793 | 0.59 | — | — |
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 |