⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3262110 | 0.81 | — | — | |
| SCHEMBL11665140 | 0.77 | — | — | |
| SCHEMBL459298 | 0.76 | — | — | |
| SCHEMBL19074345 | 0.75 | — | — | |
| Diallyl Sulfide SCHEMBL28758325 | 0.74 | — | — | |
| SCHEMBL21443357 | 0.72 | TSHR (0.37) | — | |
| Diallyl Sulfide SCHEMBL23070593 | 0.70 | ALOX5 (0.61) | — | |
| SCHEMBL5847169 | 0.70 | ALOX5 (0.53) | — | |
| Diallyl Sulfide SCHEMBL27830977 | 0.70 | ALOX5 (0.52) | — | |
| Diallyl Sulfide SCHEMBL14764035 | 0.69 | ALOX5 (1.00) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6689910-B2 | NOVEL MONOMER | E. I. DU PONT DE NEMOURS AND COMPANY | 2004-02-10 | — | — | US | disclosed |
| US-20030212225-A1 | POLYMERIZATION OF OLEFINS | WANG LIN (US) | 2003-11-13 | — | — | US | disclosed |
| EP-0998504-B1 | POLYMERIZATION OF OLEFINS | DU PONT (US) | 2003-09-10 | — | — | EP | disclosed |
| US-6605679-B1 | Polymerization of olefins | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-08-12 | — | — | US | disclosed |
| US-6482907-B1 | Polymerization of olefins | E.I. DU PONT DE NEMOURS AND COMPANY | 2002-11-19 | — | — | US | disclosed |