⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28168398 | 0.76 | — | — | |
| SCHEMBL27475271 | 0.74 | SCD (0.42) | — | |
| SCHEMBL1249449 | 0.74 | — | — | |
| SCHEMBL23476729 | 0.74 | CA5A (0.43) | — | |
| SCHEMBL5989681 | 0.74 | NOTUM (0.44) | — | |
| SCHEMBL27546349 | 0.72 | SCD (0.41) | — | |
| Hydrochloric Acid SCHEMBL30045416 | 0.72 | CA5A (0.42) | — | |
| SCHEMBL21758986 | 0.71 | SCD (0.41) | — | |
| SCHEMBL12877389 | 0.69 | SCD (0.40) | — | |
| SCHEMBL20524543 | 0.69 | NNMT (0.43) | — |
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-2009136995-A2 | INHIBITORS OF SYK PROTEIN KINASE | PORTOLA PHARMACEUTICALS, INC. (US) | 2009-11-12 | — | — | WO | disclosed |