⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28170065 | 0.80 | LMNA (0.31) | — | |
| SCHEMBL28756906 | 0.76 | — | — | |
| SCHEMBL28845526 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL3188479 | 0.75 | TRPA1 (0.30) | — | |
| SCHEMBL28263499 | 0.73 | — | — | |
| SCHEMBL8130395 | 0.72 | LMNA (0.44) | — | |
| SCHEMBL35169 | 0.72 | LMNA (0.44) | — | |
| SCHEMBL28369428 | 0.72 | — | — | |
| SCHEMBL11268548 | 0.71 | — | — | |
| Water SCHEMBL1968372 | 0.70 | LMNA (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105814092-B | Composition for hydrophilic cured product | 三井化学株式会社 | 2018-09-21 | — | — | CN | disclosed |
| CN-107250226-A | Acrylic resin modified solidfied material and its layered product and their manufacture method | 三井化学株式会社 | 2017-10-13 | — | — | CN | disclosed |
| CN-105814092-A | Composition for hydrophilic cured product | 三井化学株式会社 | 2016-07-27 | — | — | CN | disclosed |