SCHEMBL5089974

SCHEMBL5089974

C=C(CC(C)C)C(=O)OCC(C)C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.37
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 1/20 0.31
P2RX4 Q99571 1/20 0.31

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
Methacrylic Acid SCHEMBL20791410 0.91 TSHR (0.63) TSHRALDH1A1TDP1SMN1; SMN2MMP1
SCHEMBL28396086 0.86 TSHR (0.57) TSHRALDH1A1SMN1; SMN2
SCHEMBL28396087 0.86 TSHR (0.47) TSHRALDH1A1TDP1CA2
SCHEMBL179918 0.83 ALDH1A1 (0.45) TSHRALDH1A1TDP1CA2
SCHEMBL5605430 0.83 TSHR (0.63) TSHRALDH1A1TDP1SMN1; SMN2HPGD
SCHEMBL1473219 0.83 TSHR (0.63) TSHRALDH1A1TDP1SMN1; SMN2HPGD
SCHEMBL21976302 0.81 TSHR (0.61) TSHRALDH1A1TDP1
SCHEMBL24029331 0.81 TSHR (0.61) TSHRALDH1A1TDP1SMN1; SMN2HPGD
SCHEMBL1521320 0.81 TSHR (0.61) TSHRALDH1A1TDP1SMN1; SMN2HPGD
SCHEMBL20262429 0.79 TSHR (0.71) TSHRALDH1A1TDP1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680088-B1 Taste-masked formulation comprising clarithromycin SANDOZ AG (CH) 2008-12-03 EP claimed
EP-0076366-B1 MULTILAYER TUBULAR BODY WITH UNCENTERED BARRIER LAYER BALL CORPORATION (US) 1987-09-02 EP claimed
CN-115677911-A Organic additives and compositions containing organic additives 施乐公司 2023-02-03 CN disclosed
US-20170184970-A1 PATTERN FORMING METHOD, COMPOSITION FOR FORMING UPPER LAYER FILM, RESIST PATTERN, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2017-06-29 US disclosed
US-6392058-B1 REACTING AN ALKYL VINYL ETHER WITH PHOSGENE; FORMING ACYL CHLORIDE; ESTERIFICATION; REACTING WITH HYDRAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-05-21 US disclosed