⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28333223 | 0.78 | — | — | |
| SCHEMBL5988216 | 0.78 | — | — | |
| SCHEMBL20156542 | 0.78 | — | — | |
| SCHEMBL20767216 | 0.78 | — | — | |
| SCHEMBL1478256 | 0.78 | SLC6A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL6331328 | 0.77 | HTR2A (0.42) | — | |
| Hydrochloric Acid SCHEMBL28790221 | 0.76 | SLC6A12 (0.44) | — | |
| SCHEMBL9199145 | 0.75 | — | — | |
| SCHEMBL8166192 | 0.75 | FOLH1 (0.40) | — | |
| SCHEMBL3623641 | 0.74 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101448495-A | To M1Benzimidazole compound with active receptor and application thereof in medicines | GLAXO GROUP LTD (GB) | 2009-06-03 | — | — | CN | disclosed |