SCHEMBL11208340

SCHEMBL11208340

Oc1ccccc1CCCCCl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
MPO P05164 6/20 0.53
SLC6A4 P31645 2/20 0.53
MGLL Q99685 1/20 0.53
HSPA5 P11021 1/20 0.50
TSHR P16473 2/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
HTR1A P08908 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1B1 P15121 1/20 0.43
IAPP P10997 1/20 0.43

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
SCHEMBL30081968 0.98 MGLL (0.56) TAAR1MPOSLC6A4MGLLHSPA5
SCHEMBL30695738 0.98 MGLL (0.56) TAAR1MPOSLC6A4MGLLHSPA5
SCHEMBL30081969 0.98 MGLL (0.56) TAAR1MPOSLC6A4MGLLHSPA5
SCHEMBL29127699 0.98 MGLL (0.56) TAAR1MPOSLC6A4MGLLHSPA5
SCHEMBL4100011 0.93 TAAR1 (0.56) TAAR1MPOSLC6A4MGLLHSPA5
SCHEMBL3800530 0.89 TAAR1 (0.65) TAAR1MPOSLC6A4MGLLHSPA5
SCHEMBL8398317 0.86 MGLL (0.66) TAAR1MPOSLC6A4MGLLHSPA5
SCHEMBL8401990 0.86 MGLL (0.66) TAAR1MPOSLC6A4MGLLHSPA5
SCHEMBL8402231 0.86 MGLL (0.66) TAAR1MPOSLC6A4MGLLHSPA5
SCHEMBL8400524 0.86 MGLL (0.66) TAAR1MPOSLC6A4MGLLHSPA5

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-115144137-A Substitution method for full water test of large water treatment and storage structure 中建三局绿色产业投资有限公司 2022-10-04 CN claimed
CN-212758571-U A reation kettle agitating unit for producing chloroprene phenol aldehyde adhesive 常熟市江南粘合剂有限公司 2021-03-23 CN disclosed
CN-212758571-U A reation kettle agitating unit for producing chloroprene phenol aldehyde adhesive 常熟市江南粘合剂有限公司 2021-03-23 CN disclosed
EP-0005053-B1 FLAME-RETARDANT ORGANIC PHOSPHATES, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM FMC Corporation (US) 1983-05-25 EP disclosed
US-4246169-A Flammable plastics containing a flame retardant amount of polyarylphosphates and the polyarylphosphates FMC CORPORATION (US) 1981-01-20 US disclosed
EP-0005053-A2 Flame-retardant organic phosphates, their production, and compositions containing them FMC Corporation (US) 1979-10-31 EP disclosed