⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12262003 | 1.00 | — | — | |
| SCHEMBL17662580 | 1.00 | — | — | |
| SCHEMBL328247 | 1.00 | — | — | |
| SCHEMBL1231567 | 0.95 | CA1 (0.54) | — | |
| SCHEMBL2406618 | 0.95 | CA1 (0.54) | — | |
| SCHEMBL12086964 | 0.95 | CA1 (0.54) | — | |
| SCHEMBL18822814 | 0.93 | CA1 (0.52) | — | |
| SCHEMBL10000251 | 0.93 | CA1 (0.52) | — | |
| SCHEMBL6248303 | 0.93 | CA1 (0.52) | — | |
| SCHEMBL17662709 | 0.86 | DPP4 (0.50) | — |
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-2018060300-A1 | BRIDGED PIPERIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-04-05 | — | — | WO | disclosed |