⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2704472 | 0.86 | TDP1 (0.40) | — | |
| SCHEMBL9543105 | 0.82 | — | — | |
| SCHEMBL9543095 | 0.82 | — | — | |
| SCHEMBL4727787 | 0.81 | — | — | |
| SCHEMBL15249364 | 0.81 | TSHR (0.64) | — | |
| SCHEMBL14776831 | 0.80 | TSHR (0.69) | — | |
| SCHEMBL16125044 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL19442152 | 0.80 | — | — | |
| SCHEMBL1472646 | 0.79 | PTPN1 (0.42) | — | |
| SCHEMBL709217 | 0.79 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113511971-A | 4-halogenated-2-methyl-2-ethyl crotonate and preparation method thereof | 上虞新和成生物化工有限公司 | 2021-10-19 | — | — | CN | claimed |
| CN-116622034-A | Slow-release viscosity-reduction type polycarboxylate superplasticizer for high-strength concrete and preparation method thereof | 中建西部建设新材料科技有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-113511971-A | 4-halogenated-2-methyl-2-ethyl crotonate and preparation method thereof | 上虞新和成生物化工有限公司 | 2021-10-19 | — | — | CN | disclosed |
| CN-102803185-B | Fuel composition comprising isoprene derivative | DANISCO US INC. (US) | 2016-01-06 | — | — | CN | disclosed |
| US-20140148623-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. (US) | 2014-05-29 | — | — | US | disclosed |
| US-20140148623-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. (US) | 2014-05-29 | — | — | US | disclosed |
| US-8450549-B2 | Fuel compositions comprising isoprene derivatives | DANISCO US INC. (US) | 2013-05-28 | — | — | US | disclosed |
| US-8450549-B2 | Fuel compositions comprising isoprene derivatives | DANISCO US INC. (US) | 2013-05-28 | — | — | US | disclosed |
| CN-102803185-A | Fuel composition comprising isoprene derivative | DANISCO US INC | 2012-11-28 | — | — | CN | disclosed |
| EP-2448891-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | Danisco US Inc. (US) | 2012-05-09 | — | — | EP | disclosed |
| US-20110046422-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. | 2011-02-24 | — | — | US | disclosed |
| US-20110046422-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. | 2011-02-24 | — | — | US | disclosed |
| WO-2010148256-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. (US) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010148256-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. (US) | 2010-12-23 | — | — | WO | disclosed |
| US-7700633-B2 | Organic compounds | NOVARTIS AG (CH) | 2010-04-20 | — | — | US | disclosed |
| US-20080262050-A1 | Organic Compounds | NOVARTIS AG (CH) | 2008-10-23 | — | — | US | disclosed |
| EP-1964561-A1 | Inhibitors of IMPDH enzyme | Vertex Pharmaceuticals Incorporated (US) | 2008-09-03 | — | — | EP | disclosed |
| EP-1963292-A2 | ORGANIC COMPOUNDS | Novartis Pharma AG (CH) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007067615-A2 | THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS | NOVARTIS AG (CH) | 2007-06-14 | — | — | WO | disclosed |
| EP-0132737-A2 | Process for the isomerization of diacyloxybutenes | BASF Aktiengesellschaft (DE) | 1985-02-13 | — | — | EP | disclosed |