SCHEMBL2231174

SCHEMBL2231174

CC(C)O[Ti].CCC(C(C)=O)C(=O)O.CCC(C(C)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8714232 1.00 TSHR (0.32) TSHRTP53MEN1KMT2ACA2
SCHEMBL157028 0.83
SCHEMBL1076804 0.83 MME (0.32) TSHRTP53MEN1KMT2ACA2
SCHEMBL27823649 0.82 TSHR (0.34) TSHR
SCHEMBL8713539 0.82 TSHR (0.34) TSHR
SCHEMBL487333 0.81 TDP1 (0.38) TP53MEN1KMT2ACA2MAPK1
SCHEMBL11554076 0.81 TDP1 (0.38) TP53MEN1KMT2ACA2MAPK1
SCHEMBL21225948 0.81 TDP1 (0.38) TP53MEN1KMT2ACA2MAPK1
SCHEMBL21219177 0.81 TDP1 (0.38) TP53MEN1KMT2ACA2MAPK1
SCHEMBL3182058 0.81 TDP1 (0.38) TP53MEN1KMT2ACA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024185319-A1 ROOM-TEMPERATURE-CURABLE ORGANOPOLYSILOXANE COMPOSITION AND BASE MATERIAL 信越化学工業株式会社 2024-09-12 WO disclosed
EP-3950849-A1 LATENT HEAT STORAGE MATERIAL Kaneka Corporation (JP) 2022-02-09 EP disclosed
US-20220010185-A1 LATENT HEAT STORAGE MATERIAL KANEKA CORPORATION (JP) 2022-01-13 US disclosed
US-7977399-B2 Curable composition KANEKA CORPORATION (JP) 2011-07-12 US disclosed
EP-2072577-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2010-08-04 EP disclosed
US-20100105798-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2010-04-29 US disclosed
EP-2072577-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2009-06-24 EP disclosed