⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8700268 | 1.00 | — | — | |
| SCHEMBL2889952 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL2889953 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL8593409 | 0.91 | — | — | |
| SCHEMBL8593407 | 0.91 | — | — | |
| SCHEMBL8707961 | 0.91 | — | — | |
| SCHEMBL1173884 | 0.81 | CES2 (0.44) | — | |
| SCHEMBL1173808 | 0.81 | CES2 (0.44) | — | |
| SCHEMBL1173730 | 0.81 | CES2 (0.44) | — | |
| SCHEMBL1173872 | 0.81 | CES2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5750540-A | SIDE EFFECT REDUCTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |