⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15556489 | 0.76 | — | — | |
| SCHEMBL3762421 | 0.75 | — | — | |
| SCHEMBL8744694 | 0.70 | MAPK1 (0.40) | — | |
| SCHEMBL14723229 | 0.69 | SMPD3 (0.45) | — | |
| SCHEMBL8744686 | 0.68 | NPY5R (0.47) | — | |
| SCHEMBL8744702 | 0.68 | ERBB2 (0.49) | — | |
| Water SCHEMBL7594637 | 0.67 | — | — | |
| SCHEMBL19253573 | 0.63 | PSMB8 (0.35) | — | |
| SCHEMBL28579230 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL9663276 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10226449-B2 | Heterocyclic modulators of lipid synthesis and combinations thereof | 3-V BIOSCIENCES, INC. (US) | 2019-03-12 | — | — | US | disclosed |
| US-20180222892-A1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS | 3-V BIOSCIENCES, INC. | 2018-08-09 | — | — | US | disclosed |
| 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 |