SCHEMBL9200320

SCHEMBL9200320

O=C(OC(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.69
NPSR1 Q6W5P4 1/20 0.58
SRD5A2 P31213 1/20 0.57
LMNA P02545 3/20 0.54
P2RX1 P51575 1/20 0.54
POLB P06746 2/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 1/20 0.51
ALDH1A1 P00352 4/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNK3 O14649 1/20 0.51
PTGS1 P23219 1/20 0.50

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
SCHEMBL31406174 1.00 CES2 (0.69) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL9200329 0.95 CES2 (0.62) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL28392703 0.90 CES2 (0.61) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL11802784 0.87 CES2 (0.67) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL20267656 0.87 CES2 (0.67) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL4946599 0.87 CES2 (0.57) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL11299190 0.85 CES2 (0.56) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL7112385 0.85 CES2 (0.56) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL17760574 0.85 CES2 (0.65) CES2NPSR1SRD5A2LMNAP2RX1
SCHEMBL40351 0.85 CES2 (0.65) CES2NPSR1SRD5A2LMNAP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026985-A Continuous foaming type concrete air entraining agent and preparation method thereof 江苏奥莱特新材料股份有限公司 2024-05-14 CN claimed
US-20180273819-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS COMPRISING TRIAMINES AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC (US) 2018-09-27 US claimed
WO-2016179028-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS, LLC. (US) 2016-11-10 WO claimed
CN-118026985-A Continuous foaming type concrete air entraining agent and preparation method thereof 江苏奥莱特新材料股份有限公司 2024-05-14 CN disclosed
US-20180273819-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS COMPRISING TRIAMINES AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC (US) 2018-09-27 US disclosed
WO-2016179028-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS, LLC. (US) 2016-11-10 WO disclosed
EP-0436307-B1 Substituted oxophthalazinyl acetic acids and analogs thereof PFIZER (US) 1995-02-22 EP disclosed
US-5304557-A Aldose reductase inhibitor PFIZER INC. (US) 1994-04-19 US disclosed
EP-0436307-A1 Substituted oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1991-07-10 EP disclosed