⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6841021 | 0.85 | — | — | |
| SCHEMBL40660 | 0.84 | ALDH1A1 (0.61) | — | |
| SCHEMBL6850521 | 0.84 | ALDH1A1 (0.61) | — | |
| SCHEMBL1335212 | 0.82 | — | — | |
| SCHEMBL10636466 | 0.81 | — | — | |
| SCHEMBL4390490 | 0.81 | ALDH1A1 (1.00) | — | |
| SCHEMBL1849 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL8970989 | 0.81 | ALDH1A1 (0.58) | — | |
| SCHEMBL8627821 | 0.79 | — | — | |
| SCHEMBL21340366 | 0.79 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110312775-A | Adhesive composition and its manufacturing method | 东亚合成株式会社 | 2019-10-08 | — | — | CN | disclosed |
| CN-104943393-A | Non-aqueous photocurable ink jet composition storage body and recording method | SEIKO EPSON CORP | 2015-09-30 | — | — | CN | disclosed |