⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13993938 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL13993944 | 0.82 | ALDH1A1 (0.40) | — | |
| SCHEMBL13993910 | 0.82 | ALDH1A1 (0.40) | — | |
| SCHEMBL13993917 | 0.78 | PAOX (0.43) | — | |
| SCHEMBL13993937 | 0.77 | EPHX2 (0.33) | — | |
| SCHEMBL13993925 | 0.77 | KDM4E (0.42) | — | |
| SCHEMBL16072551 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL13993915 | 0.76 | OPRM1 (0.33) | — | |
| SCHEMBL13993940 | 0.74 | SIGMAR1 (0.37) | — | |
| SCHEMBL16075569 | 0.72 | KDM4E (0.41) | — |
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-2007067537-A1 | PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS | OSI PHARMACEUTICALS, INC. (US) | 2007-06-14 | — | — | WO | disclosed |