⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4267041 | 0.83 | ALDH1A1 (0.46) | — | |
| SCHEMBL27277948 | 0.80 | ALDH1A1 (0.44) | — | |
| SCHEMBL3393178 | 0.78 | HTR2C (0.61) | — | |
| SCHEMBL27528981 | 0.78 | GABRR1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL4487208 | 0.77 | KDM4E (0.62) | — | |
| SCHEMBL8943892 | 0.76 | — | — | |
| SCHEMBL4702066 | 0.76 | — | — | |
| SCHEMBL8050231 | 0.76 | — | — | |
| SCHEMBL1710128 | 0.76 | — | — | |
| SCHEMBL28353125 | 0.75 | LMNA (0.45) | — |
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-0653421-B1 | Process for preparing 2-cyanoimidazole compounds | ISHIHARA SANGYO KAISHA (JP) | 1997-01-15 | — | — | EP | disclosed |
| US-5552557-A | Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1996-09-03 | — | — | US | disclosed |
| EP-0653421-A1 | Process for preparing 2-cyanoimidazole compounds | ISHIHARA SANGYO KAISHA LTD. (JP) | 1995-05-17 | — | — | EP | disclosed |