⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27766637 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27759537 | 0.97 | DNM1 (0.36) | — | |
| SCHEMBL13868143 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL13868129 | 0.82 | DNM1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL10495158 | 0.80 | DNM1 (0.42) | — | |
| Bromide SCHEMBL10495205 | 0.80 | DNM1 (0.42) | — | |
| SCHEMBL5855781 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL5855779 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL5852935 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL5852685 | 0.79 | ALDH1A1 (0.52) | — |
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-20080255155-A1 | KINASE INHIBITORS AND USES THEREOF | METHLYGENE INC. (CA) | 2008-10-16 | — | — | US | disclosed |