⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5167409 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL37111 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL21698631 | 0.76 | — | — | |
| SCHEMBL177924 | 0.76 | — | — | |
| SCHEMBL14935464 | 0.76 | — | — | |
| Methylamine SCHEMBL31357347 | 0.75 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL2066267 | 0.75 | KDM4A (0.38) | — | |
| SCHEMBL10781612 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL21197515 | 0.74 | KDM4A (0.44) | — | |
| SCHEMBL7675048 | 0.74 | — | — |
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-105829384-A | New non-emissive amine composition for improved system shelf life stability | 气体产品与化学公司 | 2016-08-03 | — | — | CN | disclosed |