SCHEMBL9817670

SCHEMBL9817670

CCCCCCCCCCCC(C)(C)C(C)N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
SPHK1 Q9NYA1 1/20 0.40
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.38
SMPD1 P17405 2/20 0.38
FDPS P14324 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
DNM1 Q05193 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 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
Bromide SCHEMBL28674137 0.98 OPRM1 (0.41) OPRM1SPHK1TSHRTHRBSMPD1
Bromide SCHEMBL15751799 0.98 OPRM1 (0.41) OPRM1SPHK1TSHRTHRBSMPD1
Water SCHEMBL2040726 0.98 OPRM1 (0.41) OPRM1SPHK1TSHRTHRBSMPD1
SCHEMBL18950020 0.98 OPRM1 (0.44) OPRM1SPHK1TSHRTHRBSMPD1
Phosphoric Acid SCHEMBL28587482 0.88 FDPS (0.52) SMPD1FDPSLPAR1LPAR3
SCHEMBL10582326 0.83 LMNA (0.43) OPRM1SPHK1TSHRTHRBSMPD1
SCHEMBL24459776 0.80 OPRM1 (0.38) OPRM1SPHK1SMPD1FDPSLPAR1
SCHEMBL19119194 0.80 SMN1; SMN2 (0.41) OPRM1SPHK1TSHRTHRBSMPD1
SCHEMBL20609962 0.80 TSHR (0.42) TSHRTHRBFDPSLPAR1LPAR3
SCHEMBL19432796 0.80 TSHR (0.42) TSHRTHRBFDPSLPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050770-A Method for producing second-generation biodiesel by hydrogenation 湖北天基生物能源科技发展有限公司 2023-11-14 CN claimed
CN-108137334-B Highly homogeneous zeolite precursors 艺康美国股份有限公司 2022-04-01 CN claimed
US-10934173-B2 Highly homogenous zeolite precursors ECOLAB USA INC. (US) 2021-03-02 US claimed
US-20200377374-A1 HIGHLY HOMOGENOUS ZEOLITE PRECURSORS ECOLAB USA INC. 2020-12-03 US claimed
US-10773967-B2 Highly homogenous zeolite precursors ECOLAB USA INC. (US) 2020-09-15 US claimed
US-20200079655-A1 HIGHLY HOMOGENOUS ZEOLITE PRECURSORS ECOLAB USA INC. 2020-03-12 US claimed
US-10399859-B2 Highly homogenous zeolite precursors ECOLAB USA INC. (US) 2019-09-03 US claimed
EP-3368478-A1 HIGHLY HOMOGENOUS ZEOLITE PRECURSORS Ecolab USA Inc. (US) 2018-09-05 EP claimed
US-20170113941-A1 HIGHLY HOMOGENOUS ZEOLITE PRECURSORS ECOLAB USA INC. 2017-04-27 US claimed
EP-0293192-B1 DIESEL FUEL COMPOSITION EXXON CHEMICAL PATENTS INC. (US) 1991-11-06 EP claimed