⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2400553 | 0.72 | — | — | |
| SCHEMBL317280 | 0.69 | — | — | |
| SCHEMBL13259143 | 0.69 | — | — | |
| SCHEMBL317279 | 0.67 | — | — | |
| SCHEMBL18316532 | 0.67 | — | — | |
| SCHEMBL2437863 | 0.67 | — | — | |
| SCHEMBL2437860 | 0.67 | — | — | |
| SCHEMBL18051825 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL3267806 | 0.65 | — | — | |
| SCHEMBL13007103 | 0.65 | CYP3A4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2588451-B1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INT (DE) | 2015-12-30 | — | — | EP | disclosed |