⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL112219 | 0.78 | HMGCR (0.31) | — | |
| SCHEMBL11068655 | 0.71 | TP53 (0.32) | — | |
| SCHEMBL1268571 | 0.71 | SLC22A6 (0.40) | — | |
| SCHEMBL10525793 | 0.71 | ACACB (0.32) | — | |
| SCHEMBL22202025 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL11425472 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL6565254 | 0.69 | TSHR (0.46) | — | |
| SCHEMBL2510899 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL3700078 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL7159046 | 0.68 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0434098-A2 | Photo-curable amine-containing compositions | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) | 1991-06-26 | — | — | EP | disclosed |