⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1135819 | 0.83 | ALDH1A1 (0.32) | — | |
| Vinyl Chloride SCHEMBL11358636 | 0.79 | — | — | |
| 1,1-Dichloroethene SCHEMBL8749279 | 0.78 | — | — | |
| SCHEMBL27993692 | 0.76 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL3268310 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL35840 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL45578 | 0.74 | TSHR (0.34) | — | |
| SCHEMBL6972816 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL27902457 | 0.74 | — | — | |
| SCHEMBL2119773 | 0.73 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5698270-A | Process for the preparation of antiscratch and antiabrasion shaped articles based on acrylic polymers | ATOHAAS HOLDING C.V. | 1997-12-16 | — | — | US | claimed |
| US-5698270-A | Process for the preparation of antiscratch and antiabrasion shaped articles based on acrylic polymers | ATOHAAS HOLDING C.V. | 1997-12-16 | — | — | US | disclosed |