⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15671 | 1.00 | — | — | |
| SCHEMBL6880828 | 1.00 | — | — | |
| SCHEMBL15902740 | 1.00 | HSD17B10 (0.62) | — | |
| Water SCHEMBL27656190 | 0.97 | — | — | |
| Methoxymethane SCHEMBL28415479 | 0.94 | HSD17B10 (0.56) | — | |
| Alcohol SCHEMBL14895274 | 0.94 | HSD17B10 (0.56) | — | |
| Ethylene SCHEMBL29154719 | 0.94 | — | — | |
| Dimethylamine SCHEMBL10415422 | 0.92 | HSD17B10 (0.54) | — | |
| Propylene Glycol SCHEMBL10577798 | 0.92 | HSD17B10 (0.54) | — | |
| Ethylene Glycol SCHEMBL6856833 | 0.92 | HSD17B10 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2069354-B1 | Aza-benzofuranyl compounds and methods of use | GENENTECH INC (US) | 2011-11-02 | — | — | EP | disclosed |
| WO-2008067481-A1 | AZA-INDOLYL COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2008-06-05 | — | — | WO | disclosed |
| WO-2008024724-A1 | AZA-BENZOTHIOPHENYL COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2008-02-28 | — | — | WO | disclosed |
| WO-2008024725-A1 | AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2008-02-28 | — | — | WO | disclosed |
| EP-0301587-B1 | LIQUID CRYSTAL COMPOUNDS AND INTERMEDIATES THEREOF | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1992-07-15 | — | — | EP | disclosed |
| US-5114615-A | Compounds for optical apparatus | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1992-05-19 | — | — | US | disclosed |
| EP-0301587-A1 | Liquid crystal compounds and intermediates thereof | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1989-02-01 | — | — | EP | disclosed |