⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16105722 | 0.83 | — | — | |
| SCHEMBL19709060 | 0.81 | FDPS (0.41) | — | |
| SCHEMBL16105662 | 0.79 | FDPS (0.43) | — | |
| SCHEMBL29170831 | 0.79 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL28020345 | 0.78 | FDPS (0.42) | — | |
| SCHEMBL4489455 | 0.75 | — | — | |
| SCHEMBL27981639 | 0.74 | — | — | |
| Alcohol SCHEMBL8083510 | 0.74 | FDPS (0.39) | — | |
| Alcohol SCHEMBL8409534 | 0.74 | FDPS (0.39) | — | |
| SCHEMBL1683317 | 0.70 | SMN1; SMN2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070142413-A1 | Pyrazole derivatives as inhibitors of receptor tyrosone kinases | ASTRAZENECA AB (SE) | 2007-06-21 | — | — | US | disclosed |