SCHEMBL28330355

SCHEMBL28330355

C=CCCC(C)CC.CCCC(O)CC(C)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 3/20 0.32

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
SCHEMBL28622363 0.86 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2USP2CYP3A4
SCHEMBL28329070 0.85 USP2 (0.34) ALDH1A1MAPTSMN1; SMN2USP2CYP3A4
Benzoic Acid SCHEMBL14052721 0.83 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2USP2CYP3A4
SCHEMBL5868438 0.81 USP2 (0.42) ALDH1A1MAPTSMN1; SMN2USP2CYP3A4
SCHEMBL28851813 0.81 TSHR (0.41) ALDH1A1MAPTSMN1; SMN2USP2CYP3A4
SCHEMBL27507529 0.81 TSHR (0.52) ALDH1A1MAPTSMN1; SMN2USP2CYP3A4
SCHEMBL8827837 0.81 TSHR (0.31) TSHR
SCHEMBL28083628 0.79 TSHR (0.30) TSHR
SCHEMBL28096527 0.79 USP2 (0.41) ALDH1A1MAPTSMN1; SMN2USP2CYP3A4
SCHEMBL28330354 0.79 TSHR (0.55) ALDH1A1MAPTSMN1; SMN2USP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110407963-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-09-21 CN claimed
CN-110407964-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-09-21 CN claimed
CN-110407964-A Catalyst component for olefin and preparation method thereof CHINA PETROLEUM & CHEM CORP 2019-11-05 CN claimed
CN-110407963-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-09-21 CN disclosed
CN-110407964-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-09-21 CN disclosed
CN-110407964-A Catalyst component for olefin and preparation method thereof CHINA PETROLEUM & CHEM CORP 2019-11-05 CN disclosed