⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17499522 | 0.99 | — | — | |
| SCHEMBL16095925 | 0.85 | ACHE (0.37) | — | |
| SCHEMBL17499248 | 0.85 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL17499804 | 0.84 | — | — | |
| SCHEMBL16098038 | 0.84 | — | — | |
| SCHEMBL17499268 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL28210117 | 0.81 | HRH1 (0.33) | — | |
| SCHEMBL17499384 | 0.80 | HRH1 (0.33) | — | |
| SCHEMBL28039924 | 0.79 | — | — | |
| SCHEMBL17499702 | 0.79 | PKM (0.37) | — |
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-105209268-A | Heterocyclic imine functionalized polymers | BRIDGESTONE CORP | 2015-12-30 | — | — | CN | disclosed |