⚠ 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 | |
|---|---|---|---|---|
| Diethyl Sulfide SCHEMBL1327 | 0.89 | — | — | |
| Diethyl Sulfide SCHEMBL11391850 | 0.89 | — | — | |
| Diethyl Sulfide SCHEMBL5092086 | 0.89 | TSHR (0.33) | — | |
| Diethyl Sulfide SCHEMBL25414913 | 0.84 | — | — | |
| Diethyl Sulfide SCHEMBL8074340 | 0.84 | — | — | |
| Diethyl Sulfide SCHEMBL540234 | 0.84 | — | — | |
| Diethyl Sulfide SCHEMBL1422174 | 0.84 | — | — | |
| Diethyl Sulfide SCHEMBL15059287 | 0.84 | — | — | |
| Diethyl Sulfide SCHEMBL869475 | 0.84 | — | — | |
| Diethyl Sulfide SCHEMBL9743857 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4088702-A | CATALYTIC DEHYDROGENATION OF A CYCLOHEXANONE DIMER AND O-CYCLOHEXYLPHENOL | SUGAI CHEMICAL INDUSTRY COMPANY LIMITED (JA) | 1978-05-09 | — | — | US | claimed |
| US-6388048-B1 | WATER INSOLUBLE PRECIPITATE; POLYETHER POLYMERIZATION CATALYST | THE DOW CHEMICAL COMPANY | 2002-05-14 | — | — | US | disclosed |