⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2039775 | 0.69 | — | — | |
| SCHEMBL2038908 | 0.67 | — | — | |
| SCHEMBL2043634 | 0.67 | — | — | |
| SCHEMBL10683766 | 0.65 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL2044768 | 0.64 | — | — | |
| SCHEMBL6751154 | 0.64 | CHRNB2 (0.35) | — | |
| SCHEMBL2043299 | 0.62 | — | — | |
| SCHEMBL1829992 | 0.62 | CYP1A2 (0.32) | — | |
| SCHEMBL1433472 | 0.60 | CYP3A4 (0.31) | — | |
| SCHEMBL3018523 | 0.60 | CYP1A2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0934281-A1 | 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998017651-A1 | 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 1998-04-30 | — | — | WO | disclosed |