SCHEMBL55804

SCHEMBL55804

CCCCCCCCCCCCCCCCCCOC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA9 Q16790 7/20 0.43
LPAR3 Q9UBY5 3/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
NAAA Q02083 1/20 0.43
EPHX1 P07099 1/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42

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
SCHEMBL154931 1.00 TSHR (0.46) TSHRCA1CA2CA9LPAR3
SCHEMBL2858734 1.00 TSHR (0.46) TSHRCA1CA2CA9LPAR3
SCHEMBL93202 1.00 TSHR (0.46) TSHRCA1CA2CA9LPAR3
SCHEMBL160274 1.00 TSHR (0.46) TSHRCA1CA2CA9LPAR3
SCHEMBL77313 1.00 TSHR (0.46) TSHRCA1CA2CA9LPAR3
SCHEMBL156980 1.00 TSHR (0.46) TSHRCA1CA2CA9LPAR3
SCHEMBL2857805 1.00 TSHR (0.46) TSHRCA1CA2CA9LPAR3
Hexyl Formate SCHEMBL59493 1.00
Heptyl Formate SCHEMBL93149 1.00 TSHR (0.46) TSHRCA1CA2CA9LPAR3
SCHEMBL2861030 1.00 TSHR (0.46) TSHRCA1CA2CA9LPAR3

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

Appears in 3163 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118136960-B Electrolyte and battery 深圳欣界能源科技有限公司 2024-07-16 CN claimed
CN-118136960-A Electrolyte and battery 深圳欣界能源科技有限公司 2024-06-04 CN claimed
CN-115893433-A Method for preparing monodisperse hollow mesoporous silica microsphere material by combining molecular induced assembly with gradient heating 元颉新材料科技(浙江)有限公司 2023-04-04 CN claimed
CN-112513148-A Modified resin aqueous dispersion liquid 瓦克化学股份公司 2021-03-16 CN claimed
WO-2020019225-A1 AQUEOUS DISPERSION OF MODIFIED RESINS WACKER CHEMIE AG (DE) 2020-01-30 WO claimed
CN-106999435-A Controlled release of active substances 化工产品开发公司SEPPIC 2017-08-01 CN claimed
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 US claimed
US-20140148552-A1 Biomimetic Agent For Anti-Biofouling Coating And Method For Making The Same CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2014-05-29 US claimed
US-20120165474-A1 POLYFARNESENES Amyris, Inc. (US) 2012-06-28 US claimed
CN-1726032-A Pharmaceutical composition of sertaconazole for vaginal use FERRER INT (ES) 2006-01-25 CN claimed
WO-2001062946-A1 CATIONIC AMPHIPHILIC 1,4-DIHYDROPYRIDINE DERIVATIVES USEFUL FOR DELIVERY OF NUCLEOTIDE CONTAINING COMPOUNDS URTTI ARTO (FI) 2001-08-30 WO claimed
CN-1285862-A Invert emulsion drilling fluid containing mixture of secondary esters obtained by conversion of olefins, and preparation thereof CHEVRON CHEMICAL CO PLC (US) 2001-02-28 CN claimed
US-5919928-A Phenanthridine derivatives and metal complexes thereof used for transparent recording medium or optical recording medium NIPPON PAPER INDUSTRIES, CO., LTD. (JP) 1999-07-06 US claimed
US-5892042-A OPTICAL RECORDING MEDIA WITH ACRIDINE DYES ON TRANSPARENT SUBSTRATE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1999-04-06 US claimed
US-5792863-A HAVING LARGE ABSORPTION IN NEAR INFRARED, REDUCED ABSORPTION IN VISIBLE RANGE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1998-08-11 US claimed
US-5215581-A COMPOSITION AND USE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-01 US claimed
EP-0467550-A2 Fireproofing composition and its use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-22 EP claimed
US-4754034-A RECORDING MATERIALS, PRESSURE SENSITIVE, THERMOREACTIVE, ELECTROCHROMIC BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US claimed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP claimed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP claimed