⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13445631 | 0.87 | — | — | |
| SCHEMBL25871320 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL25464065 | 0.74 | — | — | |
| SCHEMBL7975051 | 0.72 | — | — | |
| SCHEMBL21953970 | 0.71 | — | — | |
| SCHEMBL23190967 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL18522446 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL18466479 | 0.68 | — | — | |
| SCHEMBL8160180 | 0.68 | — | — | |
| SCHEMBL11961634 | 0.68 | — | — |
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-3036235-B1 | NEW BIS-AMIDO PYRIDINES | BOEHRINGER INGELHEIM INT (DE) | 2017-04-19 | — | — | EP | disclosed |