⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL919515 | 0.89 | ALDH1A1 (0.47) | — | |
| SCHEMBL8747973 | 0.86 | ALDH1A1 (0.45) | — | |
| SCHEMBL919091 | 0.80 | — | — | |
| SCHEMBL11451596 | 0.78 | SOAT1 (0.52) | — | |
| SCHEMBL28897029 | 0.77 | ALDH1A1 (0.57) | — | |
| SCHEMBL809407 | 0.76 | — | — | |
| SCHEMBL6259217 | 0.76 | — | — | |
| SCHEMBL544740 | 0.74 | ALDH1A1 (0.60) | — | |
| SCHEMBL11237071 | 0.74 | — | — | |
| SCHEMBL7255546 | 0.74 | ALDH1A1 (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001094429-A1 | OLIGOMERS AND POLYMERS FROM CROTONIC BETAINE OR CROTONIC BETAINE DERIVATIVES | WELLA AKTIENGESELLSCHAFT (DE) | 2001-12-13 | — | — | WO | disclosed |
| WO-1994018249-A1 | PREPARATION OF POLYACRYLATES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1994-08-18 | — | — | WO | disclosed |