⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4968465 | 0.89 | GABRA1 (0.35) | — | |
| SCHEMBL8656464 | 0.79 | NOS3 (0.39) | — | |
| SCHEMBL6852595 | 0.77 | MMP2 (0.47) | — | |
| SCHEMBL2799553 | 0.75 | TOP1 (0.35) | — | |
| SCHEMBL1122410 | 0.74 | PARP1 (0.46) | — | |
| SCHEMBL11879142 | 0.74 | KDM4E (0.36) | — | |
| SCHEMBL7594286 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL1247036 | 0.70 | — | — | |
| SCHEMBL9511172 | 0.69 | FAAH (0.31) | — | |
| SCHEMBL15388937 | 0.69 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0301403-B1 | CURING AGENT FOR SYNTHETIC RESINS, COMPOSITIONS CONTAINING THE SAME AND USES OF THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-07-15 | — | — | EP | disclosed |
| US-4847346-A | HYDROXYALKYLPYRIDINE BLOCKED DIISOCYANATES AS CURING AGENTS | HOECHST AG (DE) | 1989-07-11 | — | — | US | disclosed |
| EP-0301403-A2 | Curing agent for synthetic resins, compositions containing the same and uses of them | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-02-01 | — | — | EP | disclosed |