⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21044222 | 0.86 | — | — | |
| SCHEMBL21044223 | 0.84 | — | — | |
| SCHEMBL21044524 | 0.84 | — | — | |
| SCHEMBL21044538 | 0.84 | — | — | |
| SCHEMBL21044576 | 0.83 | — | — | |
| SCHEMBL21044484 | 0.80 | — | — | |
| SCHEMBL21044400 | 0.79 | NOTUM (0.31) | — | |
| SCHEMBL21044487 | 0.79 | — | — | |
| SCHEMBL18305807 | 0.78 | NOTUM (0.31) | — | |
| SCHEMBL4574657 | 0.76 | ALDH1A1 (0.31) | — |
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-3191451-B1 | 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME | OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) | 2019-06-05 | — | — | EP | claimed |