⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11970000 | 0.81 | HTT (0.42) | — | |
| SCHEMBL27346469 | 0.81 | — | — | |
| SCHEMBL28795293 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL33704 | 0.79 | HTT (0.49) | — | |
| Vinyl Chloride SCHEMBL11178409 | 0.78 | HTT (0.45) | — | |
| SCHEMBL4062320 | 0.77 | — | — | |
| SCHEMBL948033 | 0.77 | — | — | |
| Ethylene SCHEMBL8740481 | 0.77 | HTT (0.47) | — | |
| SCHEMBL6446554 | 0.77 | — | — | |
| SCHEMBL4715987 | 0.77 | — | — |
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-116769100-A | Photo-curing aqueous acrylic dispersion and preparation method thereof | 广东西顿新材料科技有限公司 | 2023-09-19 | — | — | CN | disclosed |
| CN-110998443-A | Photosensitive resin composition and method for producing same | 昭和电工株式会社 | 2020-04-10 | — | — | CN | disclosed |
| US-5635449-A | Arylthioalkyl- and arylthioalkenylphosphonic acids and derivatives thereof useful as herbicidal agents | AMERICAN CYANAMID COMPANY (US) | 1997-06-03 | — | — | US | disclosed |