⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6221170 | 0.86 | — | — | |
| SCHEMBL2429949 | 0.84 | — | — | |
| SCHEMBL2781051 | 0.78 | — | — | |
| SCHEMBL1893815 | 0.75 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL13751143 | 0.74 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL736581 | 0.72 | — | — | |
| SCHEMBL2882050 | 0.72 | — | — | |
| SCHEMBL736938 | 0.72 | — | — | |
| SCHEMBL4749509 | 0.72 | — | — | |
| SCHEMBL2388285 | 0.72 | — | — |
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-4041032-A | ANTIEMATICS, GASTRIC MOTILITY STIMULANTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) | 1977-08-09 | — | — | US | disclosed |