SCHEMBL9702525

SCHEMBL9702525

CCCCNC(=O)OCC(CC)CCCC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.58
TSHR P16473 2/20 0.58
ATM Q13315 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ACHE P22303 12/20 0.58
ALOX15 P16050 1/20 0.55
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP14 P50281 1/20 0.54
ALDH1A1 P00352 2/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL982585 0.95 CYP3A4 (0.57) CYP3A4TSHRATMTDP1ACHE
SCHEMBL12593617 0.93 ACHE (0.58) CYP3A4TSHRATMTDP1ACHE
SCHEMBL10724285 0.91 ACHE (0.55) CYP3A4TSHRATMTDP1ACHE
SCHEMBL8531563 0.90 CYP3A4 (0.55) CYP3A4TSHRATMTDP1ACHE
SCHEMBL28062999 0.88 CYP3A4 (0.60) CYP3A4TSHRATMTDP1ALOX15
SCHEMBL9402571 0.88 CYP3A4 (0.53) CYP3A4TSHRATMTDP1ACHE
Ammonia Solution, Strong SCHEMBL27745825 0.87 CYP3A4 (0.58) CYP3A4TSHRATMTDP1ALOX15
SCHEMBL23878446 0.85 TSHR (0.57) CYP3A4TSHRATMTDP1MMP9
SCHEMBL28598856 0.85 TSHR (0.57) CYP3A4TSHRATMTDP1MMP9
Ammonia Solution, Strong SCHEMBL9998720 0.85 TSHR (0.57) CYP3A4TSHRATMTDP1MMP9

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108537-B Partial stream distillation 巴斯夫欧洲公司 2020-04-17 CN claimed
EP-3212627-B1 PART-STREAM DISTILLATION BASF SE (DE) 2019-09-25 EP claimed
CN-105358536-B partial stream distillation 巴斯夫欧洲公司 2018-02-09 CN claimed
EP-3212627-A1 PART-STREAM DISTILLATION BASF SE (DE) 2017-09-06 EP claimed
WO-2016066629-A1 PART-STREAM DISTILLATION BASF SE (DE) 2016-05-06 WO claimed
EP-2991970-A1 PART-STREAM DISTILLATION BASF SE (DE) 2016-03-09 EP claimed
CN-105358536-A partial stream distillation BASF SE 2016-02-24 CN claimed
WO-2014177507-A1 PART-STREAM DISTILLATION BASF SE (DE) 2014-11-06 WO claimed
US-5114701-A Oxidation and reduction of an anthraquinone in carbamate KEMIRA OY (FI) 1992-05-19 US claimed
WO-2024059990-A1 METHODS AND APPARATUS FOR INDIRECT PRODUCTION OF HYDROGEN PEROXIDE USING AMYL-ANTHRAQUINONE FOR HYDROGEN TRANSPORT THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-03-28 WO disclosed
CN-109071475-B Method for preparing propylene oxide 巴斯夫欧洲公司 2022-12-27 CN disclosed
EP-3416954-B1 A PROCESS FOR THE PREPARATION OF PROPYLENE OXIDE BASF SE (DE) 2020-08-19 EP disclosed
CN-107108537-B Partial stream distillation 巴斯夫欧洲公司 2020-04-17 CN disclosed
US-10544115-B2 Process for the preparation of propylene oxide BASF SE (DE) 2020-01-28 US disclosed
EP-2991970-A1 PART-STREAM DISTILLATION BASF SE (DE) 2016-03-09 EP disclosed
CN-105358536-A partial stream distillation BASF SE 2016-02-24 CN disclosed
WO-2015010990-A1 A PROCESS FOR PREPARING PROPYLENE OXIDE BASF SE (DE) 2015-01-29 WO disclosed
WO-2015010992-A1 A PROCESS FOR THE PREPARATION OF PROPYLENE OXIDE BASF SE (DE) 2015-01-29 WO disclosed
WO-2015010991-A1 A PROCESS FOR PREPARING PROPYLENE OXIDE BASF SE (DE) 2015-01-29 WO disclosed
WO-2014177507-A1 PART-STREAM DISTILLATION BASF SE (DE) 2014-11-06 WO disclosed