⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4612999 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28262327 | 0.94 | — | — | |
| SCHEMBL7461477 | 0.78 | FDPS (0.39) | — | |
| Pyridine SCHEMBL11782297 | 0.77 | TSHR (0.38) | — | |
| Methyl Alcohol SCHEMBL10858832 | 0.75 | FDPS (0.39) | — | |
| SCHEMBL8852056 | 0.75 | LMNA (0.38) | — | |
| SCHEMBL27295396 | 0.73 | — | — | |
| SCHEMBL125855 | 0.73 | FDPS (0.35) | — | |
| SCHEMBL4940649 | 0.73 | — | — | |
| SCHEMBL10429436 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105693730-A | Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors | 西格诺药品有限公司 | 2016-06-22 | — | — | CN | disclosed |