⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL17376777 | 0.69 | — | — | |
| SCHEMBL931506 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL17310826 | 0.65 | SOD3 (0.33) | — | |
| SCHEMBL6850317 | 0.65 | — | — | |
| SCHEMBL25336777 | 0.64 | CHRNB2 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL27855205 | 0.62 | — | — | |
| SCHEMBL9941956 | 0.62 | — | — | |
| SCHEMBL25950872 | 0.61 | — | — | |
| SCHEMBL25950970 | 0.60 | CYP11B1 (0.31) | — | |
| SCHEMBL213339 | 0.60 | — | — |
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-101389630-A | Protein kinase inhibitors | ABBOTT LAB (US) | 2009-03-18 | — | — | CN | disclosed |