⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9746878 | 0.76 | L3MBTL1 (0.31) | — | |
| SCHEMBL10921702 | 0.74 | — | — | |
| SCHEMBL4952033 | 0.65 | — | — | |
| SCHEMBL7395327 | 0.64 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL13503707 | 0.64 | GRM5 (0.33) | — | |
| SCHEMBL4954282 | 0.63 | — | — | |
| SCHEMBL21037190 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL4954287 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL6355032 | 0.62 | BRD4 (0.30) | — | |
| SCHEMBL11105461 | 0.61 | PIK3CD (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0272588-B1 | ACETYLENE DIUREA DERIVATIVES AND THEIR USE IN STABILIZING SYNTHETIC RESINS | BASF Aktiengesellschaft (DE) | 1992-10-14 | — | — | EP | disclosed |
| EP-0272588-A1 | Acetylene diurea derivatives and their use in stabilizing synthetic resins | BASF Aktiengesellschaft (DE) | 1988-06-29 | — | — | EP | disclosed |