⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22135545 | 1.00 | — | — | |
| SCHEMBL22626479 | 0.83 | EPHX1 (0.44) | — | |
| SCHEMBL5680409 | 0.83 | — | — | |
| SCHEMBL6445907 | 0.67 | — | — | |
| SCHEMBL6917855 | 0.67 | — | — | |
| SCHEMBL1000749 | 0.67 | — | — | |
| SCHEMBL1832147 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL2950615 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL1085949 | 0.64 | — | — | |
| SCHEMBL21912822 | 0.62 | — | — |
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-2009133522-A1 | PIPERIDINE AND PYRROLIDINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-05 | — | — | WO | disclosed |