SCHEMBL20529606

SCHEMBL20529606

C=CCCCCNCCCC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
ALDH1A1 P00352 3/20 0.59
ADH1B P00325 2/20 0.46
ADH1C P00326 2/20 0.46
ADH1A P07327 2/20 0.46
ADH7 P40394 2/20 0.46
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX1 P07099 1/20 0.39
ADH4 P08319 1/20 0.39
KDM1A O60341 2/20 0.38
S1PR2 O95136 3/20 0.36
S1PR4 O95977 3/20 0.36
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 3/20 0.36
LMNA P02545 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
S1PR5 Q9H228 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
SCHEMBL27559835 0.98 TSHR (0.65) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL9886738 0.98 TSHR (0.65) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL21568894 0.98 TSHR (0.65) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL8033193 0.95 TSHR (0.68) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL9214189 0.93 TSHR (0.73) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL22753257 0.93 TSHR (0.73) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL11327591 0.93 TSHR (0.73) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL3250615 0.93 TSHR (0.73) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL31230603 0.93 TSHR (0.73) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL18625990 0.93 TSHR (0.73) TSHRALDH1A1ADH1BADH1CADH1A

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-3606643-B1 ABSORBENT COMPOSITIONS INCLUDING AMINO-SILOXANES GE OIL & GAS INC (US) 2023-08-30 EP disclosed
US-11400411-B2 Absorbent compositions including amino-siloxanes BAKER HUGHES ENERGY SERVICES LLC (US) 2022-08-02 US disclosed
US-20200108343-A1 ABSORBENT COMPOSITIONS INCLUDING AMINO-SILOXANES BAKER HUGHES ENERGY SERVICES LLC 2020-04-09 US disclosed
EP-3606643-A1 ABSORBENT COMPOSITIONS INCLUDING AMINO-SILOXANES GE Oil & Gas, Inc. (US) 2020-02-12 EP disclosed
WO-2018186860-A1 ABSORBENT COMPOSITIONS INCLUDING AMINO-SILOXANES GE Oil & Gas, Inc. (US) 2018-10-11 WO disclosed