SCHEMBL899587

SCHEMBL899587

C=CCC(=C)C(=O)OCC(C)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MAPT P10636 3/20 0.36
USP2 O75604 2/20 0.34
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6988086 0.82 TSHR (0.43) TSHRMAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL899588 0.82 TSHR (0.35) TSHRMAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL7706137 0.79 TSHR (0.45) TSHRMAPTALDH1A1TDP1
SCHEMBL3379752 0.79 TSHR (0.45) TSHRMAPT
SCHEMBL5084806 0.79 TSHR (0.45) TSHRMAPTTDP1
SCHEMBL8655058 0.79 MAPT (0.47) TSHRMAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL2026086 0.77 TSHR (0.44) TSHRMAPTALDH1A1
SCHEMBL11778052 0.77 TSHR (0.31) TSHR
SCHEMBL10709805 0.77 TSHR (0.44) TSHRMAPT
SCHEMBL2358456 0.76 ALDH1A1 (0.45) TSHRMAPTSMN1; SMN2LMNAALDH1A1

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
US-20180340083-A1 METAL DISPERSION WITH INCREASED STABILITY CLARIANT INTERNATIONAL LTD. (CH) 2018-11-29 US disclosed
US-8920543-B2 Additives for inhibition of gas hydrate formation CLARIANT FINANCE (BVI) LIMITED (VG) 2014-12-30 US disclosed
US-8920542-B2 Additives for inhibiting gas hydrate formation CLARIANT FINANCE (BVI) LIMITED (VG) 2014-12-30 US disclosed
US-20130065799-A1 Additives For Inhibition Of Gas Hydrate Formation CLARIANT FINANCE (BVI) LIMITED (VG) 2013-03-14 US disclosed
US-20120080643-A1 ADDITIVES FOR INHIBITING GAS HYDRATE FORMATION CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-05 US disclosed