⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL128632 | 0.80 | — | — | |
| SCHEMBL4648822 | 0.80 | — | — | |
| SCHEMBL567658 | 0.77 | — | — | |
| SCHEMBL7663313 | 0.74 | — | — | |
| SCHEMBL2438022 | 0.74 | — | — | |
| SCHEMBL910401 | 0.74 | — | — | |
| Pivalate SCHEMBL28069023 | 0.72 | ALDH1A1 (0.53) | — | |
| Pivalate SCHEMBL27519097 | 0.72 | — | — | |
| Pivalate SCHEMBL5116637 | 0.70 | TSHR (0.61) | — | |
| Pivalate SCHEMBL332912 | 0.70 | TSHR (0.61) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105924634-A | Aliphatic carborane polyester and method for preparing aliphatic carborane polyester through sulfonylation method | 哈尔滨工业大学 | 2016-09-07 | — | — | CN | disclosed |
| CN-103509142-A | Solid catalyst for propylene polymerization and a method for preparation of polypropylene | SAMSUNG TOTAL PETROCHEMICALS | 2014-01-15 | — | — | CN | disclosed |
| EP-2370431-A1 | 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE | Almirall S.A. (ES) | 2011-10-05 | — | — | EP | disclosed |
| CN-101842396-A | Solid titanium catalyst component, olefin polymerization catalyst, and olefin polymerization method | MITSUI CHEMICALS INC | 2010-09-22 | — | — | CN | disclosed |
| WO-2010072352-A1 | 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE | ALMIRALL S.A. (ES) | 2010-07-01 | — | — | WO | disclosed |
| US-20050054696-A1 | Indole compounds and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | US | disclosed |
| EP-1452526-A1 | INDOLE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-09-01 | — | — | EP | disclosed |