SCHEMBL584511

SCHEMBL584511

CCCCC(CC)COOC(=O)OCC(CC)CCCC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.60
TSHR P16473 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
ATM Q13315 1/20 0.60
ALDH1A1 P00352 6/20 0.53
CA2 P00918 5/20 0.53
RECQL P46063 1/20 0.50
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
CA1 P00915 2/20 0.41

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
SCHEMBL973798 0.92 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL35431 0.91 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1563876 0.91 CYP3A4 (0.56) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL12669245 0.91 CYP3A4 (0.54) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL3663925 0.90 CYP3A4 (0.53) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1556513 0.90 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL7137760 0.89 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL3878323 0.89 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL93541 0.88 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL94797 0.87 CYP3A4 (0.70) CYP3A4TSHRTDP1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561943-A Dydrogesterone intermediate impurity and preparation method thereof 新疆特丰药业股份有限公司 2024-08-30 CN claimed
US-11912810-B2 Composition for preparing vinyl chloride-based polymer and method for preparing vinyl chloride-based polymer using the same LG CHEM, LTD. (KR) 2024-02-27 US claimed
CN-116948106-A Toughening agent, preparation method and application thereof in PVC material 河南联塑实业有限公司 2023-10-27 CN claimed
CN-113767129-B Composition for polymerizing vinyl chloride polymer and method for preparing vinyl chloride polymer using the same 株式会社LG化学 2023-10-27 CN claimed
CN-116333026-A Preparation method of dydrogesterone intermediate 北京济美堂医药研究有限公司 2023-06-27 CN claimed
CN-112166137-B Composition for polymerizing vinyl chloride-based polymer and method for preparing vinyl chloride-based polymer using the same 株式会社LG化学 2023-06-09 CN claimed
CN-115850895-A Continuous fiber reinforced PMMA composite material and preparation method and application thereof 郑州中科新兴产业技术研究院 2023-03-28 CN claimed
CN-115819653-A Continuous fiber reinforced PMMA (polymethyl methacrylate) composite material as well as preparation method and application thereof 郑州中科新兴产业技术研究院 2023-03-21 CN claimed
CN-115717037-A Silane self-crosslinking packaging adhesive film and preparation method thereof 浙江祥邦科技股份有限公司 2023-02-28 CN claimed
US-20220220232-A1 COMPOSITION FOR POLYMERIZING VINYL CHLORIDE-BASED POLYMER AND METHOD FOR PREPARING VINYL CHLORIDE-BASED POLYMER USING SAME LG CHEM, LTD. (KR) 2022-07-14 US claimed
US-20210087303-A1 COMPOSITION FOR PREPARING VINYL CHLORIDE-BASED POLYMER AND METHOD FOR PREPARING VINYL CHLORIDE-BASED POLYMER USING THE SAME LG CHEM, LTD. (KR) 2021-03-25 US claimed
CN-112166137-A Composition for polymerizing vinyl chloride-based polymer and method for preparing vinyl chloride-based polymer using the same 株式会社LG化学 2021-01-01 CN claimed
CN-107254015-B Thermosetting resin-based fiber composite material and preparation method thereof 东华大学 2020-08-04 CN claimed
CN-111334198-A UV double-component double-curing structural adhesive 顺德职业技术学院 2020-06-26 CN claimed
CN-111316381-A Composition for forming electrode, electrode prepared from same, and solar cell 三星SDI株式会社 2020-06-19 CN claimed
EP-2454287-B1 HIGH PRESSURE RADICAL POLYMERIZATION PROCESS EXXONMOBIL CHEM PATENTS INC (US) 2013-04-17 EP claimed
WO-2009054621-A2 THE COMPOSITION OF DECOLORABLE INK AND DECOLORING METHOD HAN JONG-SOO (KR) 2009-04-30 WO claimed
US-6180040-B1 BLEND OF RESILIENCE POLYMER, FREE RADICAL INITIATOR AND CROSSLINKING AGENT ACUSHNET COMPANY 2001-01-30 US claimed
CN-1168371-A Organic peroxide stabilization with phosphomolybdic acid WITCO CORP (US) 1997-12-24 CN claimed
US-5334479-A Processes for aquabulk polymerization to produce high purity toners XEROX CORPORATION (US) 1994-08-02 US claimed