⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7280643 | 0.71 | PREP (0.33) | — | |
| Hydrochloric Acid SCHEMBL7288302 | 0.70 | SPHK1 (0.32) | — | |
| SCHEMBL27435004 | 0.66 | NOS1 (0.38) | — | |
| SCHEMBL8017449 | 0.64 | CA1 (0.36) | — | |
| SCHEMBL28034269 | 0.62 | NOS1 (0.32) | — | |
| SCHEMBL12321026 | 0.61 | CTSK (0.36) | — | |
| SCHEMBL15015760 | 0.61 | CHRM1 (0.40) | — | |
| SCHEMBL5763676 | 0.60 | NOS1 (0.40) | — | |
| SCHEMBL67349 | 0.60 | NOS1 (0.40) | — | |
| SCHEMBL17449764 | 0.60 | NOS1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0309766-A2 | N-acylamino acid derivatives and their use | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1989-04-05 | — | — | EP | disclosed |