SCHEMBL7184750

SCHEMBL7184750

CCCC(O[Ti](=O)O)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11064004 0.84 SMPD1 (0.38)
SCHEMBL7132650 0.78 LMNA (0.33)
SCHEMBL2401864 0.73
SCHEMBL4969417 0.71
SCHEMBL10420081 0.69
SCHEMBL14991338 0.68 CHRM1 (0.37) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL1070208 0.68 TSHR (0.35) TSHR
SCHEMBL28084580 0.67 TRPV1 (0.44) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL4947460 0.65 TSHR (0.35) TSHR
Ethylene Glycol SCHEMBL16933981 0.65 TSHR (0.40) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230272147-A1 SELECTIVE POLYURETHANE PREPOLYMER SYNTHESIS POLYU GMBH (DE) 2023-08-31 US claimed
US-20230097205-A1 COMPOSITION AND METHOD FOR PRODUCING SILICONE COMPOUNDS, AND USE THEREOF POLYU GMBH (DE) 2023-03-30 US claimed
EP-4013802-A1 SELECTIVE POLYURETHANE PREPOLYMER SYNTHESIS PolyU GmbH (DE) 2022-06-22 EP claimed
WO-2021028511-A1 SELECTIVE POLYURETHANE PREPOLYMER SYNTHESIS POLYU GMBH (DE) 2021-02-18 WO claimed
CN-113631606-B Composition and method for preparing silanized polymers and use thereof 波利有限公司 2024-07-09 CN disclosed
CN-114729092-B Selective polyurethane prepolymer synthesis 波利有限公司 2024-04-26 CN disclosed
US-20230272147-A1 SELECTIVE POLYURETHANE PREPOLYMER SYNTHESIS POLYU GMBH (DE) 2023-08-31 US disclosed
US-20230097205-A1 COMPOSITION AND METHOD FOR PRODUCING SILICONE COMPOUNDS, AND USE THEREOF POLYU GMBH (DE) 2023-03-30 US disclosed
CN-109843848-B Method for producing hydroxyalkyl carboxylic acid esters 巴斯夫欧洲公司 2023-02-28 CN disclosed
EP-4013802-A1 SELECTIVE POLYURETHANE PREPOLYMER SYNTHESIS PolyU GmbH (DE) 2022-06-22 EP disclosed
EP-3947498-A1 COMPOSITION AND PROCESS FOR PREPARING MOISTURE CROSS-LINKED POLYMERS, AND USE THEREOF PolyU GmbH (DE) 2022-02-09 EP disclosed
CN-113631606-A Compositions and methods for preparing silylated polymers and uses thereof 波利有限公司 2021-11-09 CN disclosed
US-20150299607-A1 Use Of Polyesters As Lubricants BASF SE (DE) 2015-10-22 US disclosed
EP-2920280-A1 USE OF POLYESTERS AS LUBRICANTS BASF SE (DE) 2015-09-23 EP disclosed
EP-2920281-A1 USE OF POLYESTERS AS LUBRICANTS BASF SE (DE) 2015-09-23 EP disclosed
WO-2014075957-A1 USE OF POLYESTERS AS LUBRICANTS BASF SE (DE) 2014-05-22 WO disclosed
WO-2014075993-A1 USE OF POLYESTERS AS LUBRICANTS BASF SE (DE) 2014-05-22 WO disclosed
US-6624285-B2 Plasticizing polyvinyl chloride BASF AKTIENGESELLSCHAFT (DE) 2003-09-23 US disclosed
US-20030004300-A1 Polyesters blocked with isomeric nonanols, method for producing them and use thereof as softeners BASF AKTIENGESELLSCHAFT (DE) 2003-01-02 US disclosed
US-5138106-A Catalytic transesterification, separation, distillation and catalytic transesterification DAVY MCKEE (LONDON) LIMITED (GB) 1992-08-11 US disclosed