⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181346 | 0.95 | — | — | |
| SCHEMBL27938586 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL27868973 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL30978376 | 0.90 | — | — | |
| SCHEMBL30978372 | 0.90 | — | — | |
| Oxalic Acid SCHEMBL11567656 | 0.73 | — | — | |
| SCHEMBL4077 | 0.73 | — | — | |
| SCHEMBL626536 | 0.73 | — | — | |
| SCHEMBL626538 | 0.73 | — | — | |
| SCHEMBL56545 | 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-102647904-A | Novel tricyclic protein kinase modulators | CYLENE PHARMACEUTICALS INC | 2012-08-22 | — | — | CN | disclosed |