⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8999450 | 0.86 | — | — | |
| SCHEMBL23590163 | 0.77 | — | — | |
| SCHEMBL538847 | 0.77 | — | — | |
| SCHEMBL12066090 | 0.77 | — | — | |
| SCHEMBL9212232 | 0.77 | — | — | |
| SCHEMBL29217259 | 0.76 | — | — | |
| SCHEMBL2318696 | 0.76 | — | — | |
| SCHEMBL13900845 | 0.76 | — | — | |
| SCHEMBL2318695 | 0.76 | — | — | |
| SCHEMBL1401512 | 0.75 | EPHX1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001253877-A | METHOD FOR PRODUCING 4-TETRAHYDROPYRANYLALKYLAMINE DERIVATIVE | UBE IND LTD | 2001-09-18 | — | — | JP | disclosed |