SCHEMBL183427

SCHEMBL183427

CC(C)(O)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX1 P07099 10/20 0.41
SIGMAR1 Q99720 2/20 0.39
CYP3A4 P08684 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL1153020 1.00 PDK1 (0.44) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL3393818 0.84 PDK1 (0.48) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL28292813 0.80 PDK1 (0.41) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL5501650 0.78 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL272103 0.78 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL7775102 0.78 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL50080 0.78 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL7778173 0.78 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL18901860 0.77 PDK1 (0.39) PDK1PDK2PDK3PDK4ALDH1A1
Water SCHEMBL5430832 0.76 ALDH1A1 (0.43) PDK1PDK2PDK3PDK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130031-A1 Thermoplastic Polyurethane Compositions Comprising Nitro-Substituted Polyester Diols NOVOLOOP INC (US) 2023-04-27 US claimed
CN-115843302-A Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols 诺弗洛普有限公司 2023-03-24 CN claimed
US-11028217-B1 Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols BIOCELLECTION INC. (US) 2021-06-08 US claimed
US-20230130031-A1 Thermoplastic Polyurethane Compositions Comprising Nitro-Substituted Polyester Diols NOVOLOOP INC (US) 2023-04-27 US disclosed
CN-115843302-A Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols 诺弗洛普有限公司 2023-03-24 CN disclosed
EP-4118131-A1 THERMOPLASTIC POLYURETHANE COMPOSITIONS COMPRISING NITRO-SUBSTITUTED POLYESTER DIOLS Novoloop, Inc. (US) 2023-01-18 EP disclosed
WO-2021183883-A1 THERMOPLASTIC POLYURETHANE COMPOSITIONS COMPRISING NITRO-SUBSTITUTED POLYESTER DIOLS BIOCELLECTION INC. (US) 2021-09-16 WO disclosed
US-11028217-B1 Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols BIOCELLECTION INC. (US) 2021-06-08 US disclosed
EP-2800612-B1 GOLF BALL HAVING AN OVER-INDEXED THERMOPLASTIC POLYURETHANE ELASTOMER COVER AND HAVING A SOFT FEELING WHEN HIT FENG TAY ENTPR CO LTD (TW) 2020-08-05 EP disclosed
EP-2800768-B1 METHOD FOR MAKING OVER-INDEXED THERMOPLASTIC POLYURETHANE ELASTOMER PRECURSOR AND THERMOPLASTIC POLYURETHANE ELASTOMER MADE FROM THE PRECURSOR FENG TAY ENTPR CO LTD (TW) 2017-11-15 EP disclosed
US-9597548-B2 Golf ball including a blend of highly neutralized acid polymers and method of manufacture NIKE, INC. (US) 2017-03-21 US disclosed
EP-0054151-A1 Photopolymerisable recording material and process for the production of relief forms by means of this recording material BASF Aktiengesellschaft (DE) 1982-06-23 EP disclosed
EP-0054150-A1 Photopolymerisable recording material and process for the production of relief forms by means of this recording material BASF Aktiengesellschaft (DE) 1982-06-23 EP disclosed
US-4334034-A HAVING ACRYLATE END GROUPS WHICH ARE CROSSLINKED ARE USED FOR MOLDINGS, LAMINATES, COATINGS, MAGNETIC TAPES BASF AKTIENGESELLSCHAFT (DE) 1982-06-08 US disclosed
US-4328282-A IONOMERIC POLYURETHANE ELASTOMER BASF AKTIENGESELLSCHAFT (DE) 1982-05-04 US disclosed
US-4314922-A Process for the preparation of aqueous polyurethane dispersions BASF AKTIENGESELLSCHAFT (DE) 1982-02-09 US disclosed
EP-0033898-A1 Process for preparing aqueous polyurethane dispersions BASF Aktiengesellschaft (DE) 1981-08-19 EP disclosed
EP-0033896-A1 Radiation curable aqueous binder dispersions, process for their preparation and their use BASF Aktiengesellschaft (DE) 1981-08-19 EP disclosed
EP-0033900-A2 Magnetic record carrier BASF Aktiengesellschaft (DE) 1981-08-19 EP disclosed
US-3979454-A Process for the production of alkyl sulphonic acid hydroxy alkyl amides BAYER AKTIENGESELLSCHAFT (DT) 1976-09-07 US disclosed