⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9542064 | 0.85 | CHRNB2 (0.30) | — | |
| SCHEMBL6667445 | 0.84 | SPHK1 (0.37) | — | |
| SCHEMBL27564512 | 0.82 | SPHK1 (0.44) | — | |
| SCHEMBL110077 | 0.81 | — | — | |
| SCHEMBL9807770 | 0.80 | SPHK1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL14892988 | 0.80 | DNM1 (0.47) | — | |
| SCHEMBL28798377 | 0.80 | SPHK1 (0.47) | — | |
| SCHEMBL4602671 | 0.80 | SPHK1 (0.47) | — | |
| SCHEMBL4604464 | 0.80 | SPHK1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL7902390 | 0.79 | DNM1 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453869-A2 | MICROSTRUCTURE MODIFIER FOR ANIONIC POLYMERIZATION | Hellermann, Walter (DE) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003044065-A2 | MICROSTRUCTURE MODIFIER FOR ANIONIC POLYMERIZATION | HELLERMANN WALTER (DE) | 2003-05-30 | — | — | WO | disclosed |
| EP-0014745-B1 | CURING AGENT FOR POLYEPOXIDES, CURABLE EPOXY RESIN COMPOSITIONS, HARDENED PRODUCTS THEREFROM AND PROCESS FOR CURING A POLYEPOXIDE | DIAMOND SHAMROCK CORPORATION (US) | 1983-05-25 | — | — | EP | disclosed |
| EP-0014745-A1 | Curing agent for polyepoxides, curable epoxy resin compositions, hardened products therefrom and process for curing a polyepoxide | DIAMOND SHAMROCK CORPORATION (US) | 1980-09-03 | — | — | EP | disclosed |