⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9760023 | 1.00 | — | — | |
| SCHEMBL9760017 | 1.00 | — | — | |
| SCHEMBL9773712 | 0.80 | — | — | |
| SCHEMBL14671973 | 0.80 | — | — | |
| SCHEMBL6213306 | 0.80 | — | — | |
| SCHEMBL4290301 | 0.80 | — | — | |
| SCHEMBL9773709 | 0.80 | — | — | |
| SCHEMBL32677296 | 0.79 | KCNH2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL20521658 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL20521189 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5041454-A | Stimulate gastrointestinal motility | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-08-20 | — | — | US | disclosed |
| US-4975439-A | Gastrointestinal motility stimulating properties | JANSSEN PHARMACEUTICAL N.V. (BE) | 1990-12-04 | — | — | US | disclosed |