⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3274056 | 0.82 | — | — | |
| SCHEMBL6923264 | 0.76 | — | — | |
| SCHEMBL151359 | 0.65 | — | — | |
| SCHEMBL128985 | 0.65 | — | — | |
| SCHEMBL63275 | 0.65 | — | — | |
| SCHEMBL726532 | 0.60 | — | — | |
| SCHEMBL11027103 | 0.60 | — | — | |
| SCHEMBL1538978 | 0.56 | — | — | |
| SCHEMBL5085624 | 0.56 | — | — | |
| Fluoride Ion SCHEMBL8201223 | 0.56 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104098617-A | Preparation method of sucrose-6-acetate | NANJING UNIVERSITY OF TECHNOLOGY | 2014-10-15 | — | — | CN | claimed |
| EP-2275405-B1 | PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE | ASAHI CHEMICAL IND (JP) | 2019-04-24 | — | — | EP | disclosed |
| US-8895774-B2 | Process for producing isocyanates using diaryl carbonate | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2014-11-25 | — | — | US | disclosed |
| CN-104098617-A | Preparation method of sucrose-6-acetate | NANJING UNIVERSITY OF TECHNOLOGY | 2014-10-15 | — | — | CN | disclosed |
| US-20110054211-A1 | PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2011-03-03 | — | — | US | disclosed |
| EP-2275405-A1 | PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE | Asahi Kasei Chemicals Corporation (JP) | 2011-01-19 | — | — | EP | disclosed |
| US-6180175-B1 | NOVEL ORGANIC SOLVENT TYPE, (A)VINYL TYPE POLYMER HAVING BOTH HYDROXYL GROUPS AND ALKOXYSILYL GROUPS, (B) A POLYOL COMPOUND, (C) A POLYISOCYANATE COMPOUND (D) A SILANOL GROUP FORMING CATALYST,URETHANIZATION REACTION OF A HYDROXYL GROUP AND AN | KANSAI PAINT CO., LTD. (JP) | 2001-01-30 | — | — | US | disclosed |
| US-4247666-A | CAPROLACTAM-CAPPED XYLYLENE DIISOCYANATE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1981-01-27 | — | — | US | disclosed |
| US-4171305-A | E-CAPROLACTAM-DIBLOCKED W,W'-DIISOCYANATO-1,3-DIMETHYLBENZENE, CRYSTALLIZATION POWDER COATING HARDENER | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1979-10-16 | — | — | US | disclosed |