SCHEMBL2028994

SCHEMBL2028994

CCC(OOC(C)(C)C)(OOC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 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
Ethylene Glycol SCHEMBL11319101 0.94 TSHR (0.33) TSHRTDP1
SCHEMBL3266316 0.84 TSHR (0.35) TSHRTDP1ALDH1A1CYP2D6CYP2C19
SCHEMBL1932688 0.84 TSHR (0.36) TSHRTDP1ALDH1A1HSD17B10CYP2D6
SCHEMBL11209104 0.77 TSHR (0.35) TSHRTDP1ALDH1A1HSD17B10CYP2D6
SCHEMBL138135 0.76 TSHR (0.38) TSHRTDP1ALDH1A1HSD17B10CYP2D6
SCHEMBL2672387 0.76 TSHR (0.38) TSHRTDP1ALDH1A1HSD17B10CYP2D6
SCHEMBL11217527 0.74 LMNA (0.33) TSHRTDP1ALDH1A1HSD17B10MEN1
Pivalate SCHEMBL300936 0.73 TSHR (0.53) TSHRTDP1ALDH1A1HSD17B10CYP2D6
SCHEMBL6698870 0.73
SCHEMBL5147659 0.73 TSHR (0.41) TSHRTDP1ALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490952-A Fluorine rubber/fluoroplastic thermoplastic vulcanized rubber and preparation method thereof 道恩高材(北京)科技有限公司 2022-12-20 CN claimed
CN-112770713-B Incorporation of chitosan into microcapsule walls 恩盖普有限公司 2024-05-28 CN disclosed
WO-2024019469-A1 ACRYLIC RESIN COMPOSITION HAVING EXCELLENT ELONGATION AND IMPACT STRENGTH, AND ACRYLIC LAMINATE FILM COMPRISING SAME 주식회사 엘엑스엠엠에이 2024-01-25 WO disclosed
CN-115979022-A Heat exchanger, method for treating heat exchanger, and composite material 杭州三花研究院有限公司 2023-04-18 CN disclosed
CN-115490952-A Fluorine rubber/fluoroplastic thermoplastic vulcanized rubber and preparation method thereof 道恩高材(北京)科技有限公司 2022-12-20 CN disclosed
CN-115377371-A Silicon-carbon composite material, negative plate, preparation method of negative plate and lithium ion battery 恒大新能源技术(深圳)有限公司 2022-11-22 CN disclosed
CN-115325853-A Heat exchanger and method for manufacturing the same 杭州三花研究院有限公司 2022-11-11 CN disclosed
CN-115325851-A Heat exchanger and method for manufacturing same 杭州三花研究院有限公司 2022-11-11 CN disclosed
EP-3230362-A1 LIQUID AND MELTABLE SOLID GRADES OF SCORCH PROTECTED PEROXIDES Arkema, Inc. (US) 2017-10-18 EP disclosed
EP-3230360-A1 COMPOSITIONS AND METHODS FOR CROSSLINKING POLYMERS IN THE PRESENCE OF ATMOSPHERIC OXYGEN Arkema, Inc. (US) 2017-10-18 EP disclosed
EP-1097278-A1 COMPRESSION MOLDED DOOR ASSEMBLY Therma-Tru Corporation (US) 2001-05-09 EP disclosed
WO-2001014459-A1 RADICAL-CURABLE ADHESIVE COMPOSITIONS, REACTION PRODUCTS OF WHICH DEMONSTRATE SUPERIOR RESISTANCE TO THERMAL DEGRADATION LOCTITE CORPORATION (US) 2001-03-01 WO disclosed
WO-2000031165-A1 RADICAL-CURABLE ADHESIVE COMPOSITIONS, REACTION PRODUCTS OF WHICH DEMONSTRATE SUPERIOR RESISTANCE TO THERMAL DEGRADATION LOCTITE CORPORATION (US) 2000-06-02 WO disclosed
WO-2000004249-A1 COMPRESSION MOLDED DOOR ASSEMBLY THERMA-TRU CORPORATION (US) 2000-01-27 WO disclosed
EP-0929593-A1 PROCESS FOR PREPARING ESTERIFICATION PRODUCTS Reichhold Chemicals, Inc. (US) 1999-07-21 EP disclosed
WO-1998013409-A1 PROCESS FOR PREPARING ESTERIFICATION PRODUCTS REICHHOLD CHEMICALS, INC. (US) 1998-04-02 WO disclosed
EP-0254184-B1 USE OF CURABLE REACTIVE MASSES IN THE PREPARATION OF DATA SUPPORTS BAYER AG (DE) 1991-03-13 EP disclosed
EP-0254184-A2 Use of curable reactive masses in the preparation of data supports BAYER AG (DE) 1988-01-27 EP disclosed
US-4265975-A STORAGE STABLE CHATTEM INC. (US) 1981-05-05 US disclosed
US-3964950-A BONDING DIP FOR TIRE REINFORCEMENT FABRICSVINYL PYRIDINE TERPOLYMER, RESORCINOL-FORMALDEHYDE RESIN, PEROXIDE THE GENERAL TIRE & RUBBER COMPANY (US) 1976-06-22 US disclosed