SCHEMBL7536622

SCHEMBL7536622

CCCCC(CC)C(CCCC)OC(CCCC)C(CC)CCCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
DNM1 Q05193 2/20 0.35
CYP3A4 P08684 4/20 0.34
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 5/20 0.34
CA1 P00915 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.30
FDPS P14324 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7997300 0.93 DNM1 (0.41) DNM1TSHRCA2LMNAFDPS
SCHEMBL10595438 0.93 ALDH1A1 (0.34) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL6652229 0.91 LMNA (0.38) DNM1TSHRLMNAFDPS
SCHEMBL28663452 0.90 ALDH1A1 (0.36) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL6560928 0.90 DNM1 (0.38) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL14958034 0.84 ZDHHC7 (0.37) DNM1TSHRLMNAFDPS
SCHEMBL14802122 0.83 LMNA (0.39) DNM1TSHRLMNAFDPS
SCHEMBL11593339 0.82 CTSK (0.32) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL5820966 0.80 LMNA (0.41) DNM1TSHRLMNAFDPS
SCHEMBL2771768 0.80 LMNA (0.41) DNM1TSHRLMNAFDPS

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968922-B Polymerization catalyst system and method for preparing high-reactivity polyisobutene 印度石油有限公司 2023-08-15 CN claimed
CN-113968922-A Polymerization catalyst system and process for preparing highly reactive polyisobutenes 印度石油有限公司 2022-01-25 CN claimed
EP-2840113-B1 PLASTICIZER COMPOSITION LG CHEMICAL LTD (KR) 2017-04-19 EP claimed
EP-2840113-A1 PLASTICIZER COMPOSITION LG Chem, Ltd. (KR) 2015-02-25 EP claimed
US-4127505-A TITANIUM-ALUMINUM CONTAINING TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1978-11-28 US claimed
US-4127504-A TITANIUM-ALUMINUM CONTAINING TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1978-11-28 US claimed
US-20240270900-A1 Bio-based plasticiser for resins and blends containing said plasticiser TEKNOLOGISELSKABET AF 2025 APS (DK) 2024-08-15 US disclosed
CN-113968922-B Polymerization catalyst system and method for preparing high-reactivity polyisobutene 印度石油有限公司 2023-08-15 CN disclosed
CN-113968922-A Polymerization catalyst system and process for preparing highly reactive polyisobutenes 印度石油有限公司 2022-01-25 CN disclosed
EP-2840113-B1 PLASTICIZER COMPOSITION LG CHEMICAL LTD (KR) 2017-04-19 EP disclosed
US-9234086-B2 Plasticizer composition LG CHEM, LTD. (KR) 2016-01-12 US disclosed
US-9200139-B2 2015-12-01 US disclosed
EP-2840113-A1 PLASTICIZER COMPOSITION LG Chem, Ltd. (KR) 2015-02-25 EP disclosed
US-20150025185-A1 PLASTICIZER COMPOSITION LG CHEM, LTD. (KR) 2015-01-22 US disclosed
EP-0926100-B1 Process for purification of waste waters from aldol condensation reaction with following hydrogenation CELANESE CHEM EUROPE GMBH (DE) 2002-04-17 EP disclosed
EP-0926100-A2 Process for purification of waste waters from aldol condensation reaction with following hydrogenation Celanese GmbH (DE) 1999-06-30 EP disclosed
US-4127504-A TITANIUM-ALUMINUM CONTAINING TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1978-11-28 US disclosed
US-4127505-A TITANIUM-ALUMINUM CONTAINING TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1978-11-28 US disclosed