⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1519063 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL4431237 | 0.73 | POLB (0.33) | — | |
| Methacrylic Acid SCHEMBL22204657 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL3287393 | 0.71 | HTT (0.42) | — | |
| Methacrylic Acid SCHEMBL5597048 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL15799592 | 0.69 | ITGB3 (0.41) | — | |
| SCHEMBL5535987 | 0.69 | PIK3CD (0.34) | — | |
| SCHEMBL245245 | 0.68 | — | — | |
| SCHEMBL1691671 | 0.68 | HTT (0.36) | — | |
| Bicarbonate SCHEMBL28843175 | 0.67 | HTT (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0274721-B1 | POLYMERS CONTAINING AMINO GROUPS, THEIR MANUFACTURE AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-09-15 | — | — | EP | disclosed |
| EP-0272664-B1 | CURABLE MIXTURES AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-05-27 | — | — | EP | disclosed |
| EP-0272664-A2 | Curable mixtures and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-06-29 | — | — | EP | disclosed |