SCHEMBL25513744

SCHEMBL25513744

CC(C)(c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccc(C(C)(C)c3ccc(OP(=O)(Oc4ccccc4)Oc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
SRC P12931 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 5/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL218852 1.00 CYP3A4 (0.50) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL1548707 0.98 CYP3A4 (0.48) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL6472688 0.98 CYP3A4 (0.48) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL9332956 0.96 CYP3A4 (0.50) CYP3A4TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL14900368 0.93 CYP3A4 (0.44) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL9906996 0.93 CYP3A4 (0.44) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL15257114 0.93 PKM (0.51) CYP3A4TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL14023390 0.92 ESR1 (0.59) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL12670502 0.92 ALDH1A1 (0.48) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL811002 0.92 ESR1 (0.59) CYP3A4TSHRSRCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209184-A1 ALIPHATIC COPOLYAMIDE COMPOSITION BASF SE (DE) 2024-06-27 US disclosed
US-20230203304-A1 PLASTICIZED POLYAMIDE MOLDING COMPOSITIONS BASF SE (DE) 2023-06-29 US disclosed
US-20230159746-A1 FLAME RETARDED POLYESTER BLEND BASF SE (DE) 2023-05-25 US disclosed
US-20230129664-A1 HEAT-AGING RESISTANT POLYAMIDE MOLDING COMPOSITIONS BASF SE (DE) 2023-04-27 US disclosed