SCHEMBL28429176

SCHEMBL28429176

CCCOCCCCC#N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
SPHK2 Q9NRA0 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
CES2 O00748 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
SCHEMBL25560408 0.98 TSHR (0.50) TSHRHTTMAPTMEN1THRB
SCHEMBL11314380 0.93
SCHEMBL1814059 0.91 TSHR (0.59) TSHRHTTMAPTMEN1THRB
SCHEMBL8136319 0.91 TSHR (0.59) TSHRHTTMAPTMEN1THRB
SCHEMBL21467478 0.91 TSHR (0.46) TSHRHTTMAPTMEN1THRB
SCHEMBL9122467 0.88 TSHR (0.56) TSHRHTTMAPTMEN1THRB
SCHEMBL20377446 0.88 TSHR (0.56) TSHRHTTMAPTMEN1THRB
SCHEMBL2445738 0.88 TSHR (0.56) TSHRHTTMAPTMEN1THRB
SCHEMBL10623172 0.88 TSHR (0.56) TSHRHTTMAPTMEN1THRB
SCHEMBL1460543 0.87 TSHR (0.43) TSHRMAPTALDH1A1TDP1CYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111326792-B Electrolyte and battery 宁德时代新能源科技股份有限公司 2021-02-23 CN claimed
CN-111326791-B Electrolyte and battery 宁德时代新能源科技股份有限公司 2021-01-15 CN claimed
CN-111326791-A Electrolyte and battery 宁德时代新能源科技股份有限公司 2020-06-23 CN claimed
CN-111326792-A Electrolyte and battery 宁德时代新能源科技股份有限公司 2020-06-23 CN claimed
CN-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed
CN-111326792-B Electrolyte and battery 宁德时代新能源科技股份有限公司 2021-02-23 CN disclosed
CN-111326791-B Electrolyte and battery 宁德时代新能源科技股份有限公司 2021-01-15 CN disclosed
CN-111326791-A Electrolyte and battery 宁德时代新能源科技股份有限公司 2020-06-23 CN disclosed
CN-111326792-A Electrolyte and battery 宁德时代新能源科技股份有限公司 2020-06-23 CN disclosed