⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9219614 | 0.82 | ACHE (0.30) | — | |
| SCHEMBL9215498 | 0.80 | HRH3 (0.34) | — | |
| SCHEMBL9219510 | 0.80 | HRH3 (0.31) | — | |
| SCHEMBL9852487 | 0.78 | HRH3 (0.34) | — | |
| SCHEMBL9218010 | 0.78 | HRH3 (0.34) | — | |
| SCHEMBL9217079 | 0.78 | HRH3 (0.33) | — | |
| SCHEMBL9207992 | 0.78 | HRH3 (0.31) | — | |
| SCHEMBL9213764 | 0.77 | HTT (0.36) | — | |
| SCHEMBL9212791 | 0.76 | PRKCQ (0.30) | — | |
| SCHEMBL9210546 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0413343-B1 | Furan derivatives | KYOWA HAKKO KOGYO KK (JP) | 1995-08-02 | — | — | EP | disclosed |
| US-5075301-A | FURAN DERIVATIVES USEFUL FOR THE TREATMENT OF GASTRO-INTESTINAL DISORDERS | KYOWA HAKKO KOGYO, CO., LTD. (JP) | 1991-12-24 | — | — | US | disclosed |
| EP-0413343-A2 | Furan derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-02-20 | — | — | EP | disclosed |