⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL90517 | 1.00 | — | — | |
| SCHEMBL7480979 | 0.80 | LMNA (0.45) | — | |
| SCHEMBL15499249 | 0.79 | — | — | |
| SCHEMBL21558232 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL20324016 | 0.76 | — | — | |
| SCHEMBL10282742 | 0.76 | — | — | |
| SCHEMBL18289210 | 0.76 | LMNA (0.41) | — | |
| SCHEMBL23653967 | 0.75 | MAPT (0.31) | — | |
| SCHEMBL853104 | 0.74 | THRB (0.40) | — | |
| SCHEMBL12283218 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017024412-A1 | SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS | NEOMED INSTITUTE (CA) | 2017-02-16 | — | — | WO | disclosed |