⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4436065 | 0.70 | — | — | |
| SCHEMBL14564596 | 0.67 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL14564593 | 0.63 | — | — | |
| SCHEMBL14564577 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL7633661 | 0.53 | — | — | |
| SCHEMBL5209430 | 0.50 | MAPT (0.44) | — | |
| SCHEMBL1145847 | 0.47 | — | — | |
| SCHEMBL3083039 | 0.47 | MAPT (0.39) | — | |
| SCHEMBL21765871 | 0.46 | HRH3 (0.42) | — | |
| SCHEMBL2052650 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070072912-A1 | Alicyclic-amine-substituted 4-carboxamido-benzimidazoles as parp-inhibitors and antioxidants | CEDARS-SINAI MEDICAL CENTER (US) | 2007-03-29 | — | — | US | disclosed |
| US-20070072912-A1 | Alicyclic-amine-substituted 4-carboxamido-benzimidazoles as parp-inhibitors and antioxidants | CEDARS-SINAI MEDICAL CENTER (US) | 2007-03-29 | — | — | US | disclosed |