⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7791272 | 0.82 | ALDH1A1 (0.44) | — | |
| SCHEMBL7797458 | 0.75 | — | — | |
| SCHEMBL9375362 | 0.70 | SMPD3 (0.33) | — | |
| SCHEMBL11049508 | 0.69 | LTA4H (0.47) | — | |
| SCHEMBL2103288 | 0.69 | MEN1 (0.41) | — | |
| SCHEMBL11049042 | 0.67 | HTR2C (0.46) | — | |
| SCHEMBL340071 | 0.65 | LOXL2 (0.47) | — | |
| SCHEMBL2103486 | 0.65 | FGFR1 (0.50) | — | |
| SCHEMBL1145591 | 0.64 | — | — | |
| SCHEMBL15196716 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0301456-A2 | Novel (aryl or heteroaromatic methyl)-2,2'-BI-1H-imidazoles | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-02-01 | — | — | EP | disclosed |