⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7512600 | 1.00 | — | — | |
| SCHEMBL10818774 | 0.87 | ACHE (0.41) | — | |
| Hydrochloric Acid SCHEMBL15512214 | 0.85 | ACHE (0.40) | — | |
| SCHEMBL16893305 | 0.81 | ACHE (0.38) | — | |
| SCHEMBL18623993 | 0.79 | — | — | |
| SCHEMBL31494978 | 0.79 | — | — | |
| SCHEMBL9360207 | 0.79 | — | — | |
| SCHEMBL6443493 | 0.79 | — | — | |
| SCHEMBL22431776 | 0.77 | KDM4E (0.48) | — | |
| SCHEMBL1007134 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-63088162-A | — | — | None | — | — | JP | disclosed |
| JP-S6388162-A | PRODUCTION OF INTERMEDIATE FOR (S)-BETA-BLOCKER | KANEGAFUCHI CHEM IND CO LTD | 1988-04-19 | — | — | JP | disclosed |