SCHEMBL6306013

SCHEMBL6306013

CCCC(OCC1CO1)C(CC)COCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9918910 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL6305973 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL6859067 0.76 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL14696629 0.75 TSHR (0.48) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL28560049 0.75 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL28439636 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL9010893 0.74 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL7774975 0.74 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL23248792 0.73 TSHR (0.54) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL730982 0.73 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1

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
CN-104829809-A High-molecular foam material ZUWEN WANG 2015-08-12 CN claimed
US-20030121844-A1 Selective membrane having a high fouling resistance SAEHAN INDUSTRIES INCORPORATION (KR) 2003-07-03 US claimed
CN-104829809-A High-molecular foam material ZUWEN WANG 2015-08-12 CN disclosed
US-6913694-B2 Selective membrane having a high fouling resistance SAEHAN INDUSTRIES INCORPORATION (KR) 2005-07-05 US disclosed
US-20030121844-A1 Selective membrane having a high fouling resistance SAEHAN INDUSTRIES INCORPORATION (KR) 2003-07-03 US disclosed