⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17232795 | 0.75 | DYRK1A (0.30) | — | |
| SCHEMBL19413426 | 0.71 | HSD17B10 (0.39) | — | |
| SCHEMBL17232740 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL14737141 | 0.62 | — | — | |
| SCHEMBL17752777 | 0.61 | MEN1 (0.35) | — | |
| SCHEMBL19153230 | 0.59 | CYP2C19 (0.33) | — | |
| SCHEMBL10095237 | 0.59 | CYP2C19 (0.68) | — | |
| SCHEMBL4730800 | 0.47 | — | — | |
| SCHEMBL15680979 | 0.46 | — | — | |
| SCHEMBL1352065 | 0.45 | — | — |
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-2015168286-A1 | SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARAITON AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-11-05 | — | — | WO | disclosed |