⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16518372 | 0.82 | — | — | |
| SCHEMBL18506405 | 0.79 | — | — | |
| SCHEMBL26323364 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL17811780 | 0.75 | APLNR (0.30) | — | |
| SCHEMBL9813662 | 0.73 | GAA (0.32) | — | |
| SCHEMBL15045831 | 0.72 | — | — | |
| SCHEMBL4749665 | 0.72 | — | — | |
| SCHEMBL9813702 | 0.71 | — | — | |
| SCHEMBL16154380 | 0.70 | — | — | |
| SCHEMBL17815709 | 0.70 | APLNR (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3194367-B1 | TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES | BOEHRINGER INGELHEIM INT (DE) | 2021-08-18 | — | — | EP | disclosed |
| US-8877741-B2 | Pyrrolidine derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-04 | — | — | US | disclosed |