⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4638351 | 0.76 | — | — | |
| SCHEMBL835304 | 0.75 | — | — | |
| SCHEMBL2305530 | 0.72 | — | — | |
| SCHEMBL14632319 | 0.72 | — | — | |
| SCHEMBL6131428 | 0.72 | — | — | |
| SCHEMBL834357 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL1218125 | 0.71 | — | — | |
| SCHEMBL1022556 | 0.69 | — | — | |
| SCHEMBL9131970 | 0.69 | — | — | |
| SCHEMBL1345524 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001011033-A | PRODUCTION OF OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE | HOKURIKU SEIYAKU CO LTD | 2001-01-16 | — | — | JP | disclosed |