⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15854065 | 1.00 | — | — | |
| SCHEMBL14791284 | 1.00 | — | — | |
| SCHEMBL15854064 | 1.00 | — | — | |
| SCHEMBL15004501 | 1.00 | — | — | |
| SCHEMBL12436746 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9957297 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL9957300 | 0.97 | — | — | |
| SCHEMBL20031392 | 0.83 | CYP2C9 (0.33) | — | |
| SCHEMBL3623909 | 0.83 | — | — | |
| SCHEMBL11826504 | 0.83 | — | — |
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-2014102594-A2 | SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2014-07-03 | — | — | WO | disclosed |