SCHEMBL5138293

SCHEMBL5138293

CCCCC(C=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSK P43235 4/20 0.39
CA2 P00918 7/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 4/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
FDPS P14324 1/20 0.33
DNM1 Q05193 1/20 0.33

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
SCHEMBL2719329 0.82 FDPS (0.40) TSHRSMN1; SMN2CA2ADH1BADH1C
SCHEMBL19560610 0.82 TSHR (0.45) TSHRSMN1; SMN2CTSKCA2MAPK1
SCHEMBL4654502 0.79 TSHR (0.46) TSHRSMN1; SMN2CTSKCA2MAPK1
SCHEMBL3112090 0.76 TSHR (0.36) TSHRALDH1A1
SCHEMBL28897360 0.76 TSHR (0.43) TSHRSMN1; SMN2CTSKCA2CA1
SCHEMBL13693162 0.74 MAPT (0.38) TSHRSMN1; SMN2CTSKALDH1A1CYP3A4
SCHEMBL275706 0.74
SCHEMBL13656773 0.73 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL27658787 0.71 ADH1B (0.42) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL11071882 0.70 LMNA (0.43) TSHRCA2ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111481469-B copolymer 宝丽化学工业有限公司 2023-09-19 CN disclosed
CN-111358713-B copolymer 宝丽化学工业有限公司 2023-09-19 CN disclosed
CN-111329788-B Copolymer 宝丽化学工业有限公司 2023-03-31 CN disclosed
CN-111329787-B Copolymer 宝丽化学工业有限公司 2023-03-31 CN disclosed
CN-111481469-A Copolymer 宝丽化学工业有限公司 2020-08-04 CN disclosed
CN-111358713-A Copolymer 宝丽化学工业有限公司 2020-07-03 CN disclosed
CN-111329787-A Copolymer 宝丽化学工业有限公司 2020-06-26 CN disclosed
CN-111329788-A Copolymer 宝丽化学工业有限公司 2020-06-26 CN disclosed
WO-2008084046-A1 PLASTICIZERS FOR POLYVINYL ACETALS AND POLYSULFIDES BASF SE (DE) 2008-07-17 WO disclosed