SCHEMBL9930215

SCHEMBL9930215

CCCC(C)(CC)C(F)(C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
CES2 O00748 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
FDPS P14324 1/20 0.32
TSHR P16473 2/20 0.32
KDM4C Q9H3R0 1/20 0.31
FAAH O00519 8/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CES1 P23141 5/20 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
SCHEMBL31462325 0.79 ALDH1A1 (0.34) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL31462328 0.79 ALDH1A1 (0.34) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL7823505 0.78
SCHEMBL5748868 0.78
SCHEMBL16143873 0.76 ALDH1A1 (0.35) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL7920489 0.76 ALDH1A1 (0.35) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL905441 0.74 ALDH1A1 (0.34) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL7640876 0.74 ALDH1A1 (0.34) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL19833143 0.73 TSHR (0.36) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL2682007 0.72

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
US-8697827-B2 Catalyst composition with halo-malonate internal electron donor and polymer from same W. R. GRACE & CO.-CONN (US) 2014-04-15 US disclosed
EP-2655434-A1 CATALYST COMPOSITION WITH HALO-MALONATE INTERNAL ELECTRON DONOR AND POLYMER FROM SAME Dow Global Technologies LLC (US) 2013-10-30 EP disclosed
US-20130150234-A1 Catalyst Composition with Halo-Malonate Internal Electron Donor and Polymer From Same DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-13 US disclosed
US-8383540-B2 Catalyst composition with halo-malonate internal electron donor and polymer from same DOW GLOBAL TECHNOLOGIES LLC (US) 2013-02-26 US disclosed
WO-2012087535-A1 CATALYST COMPOSITION WITH HALO-MALONATE INTERNAL ELECTRON DONOR AND POLYMER FROM SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-28 WO disclosed
US-20120157296-A1 Catalyst Composition with Halo-Malonate Internal Electron Donor and Polymer From Same W. R. GRACE & CO.-CONN. 2012-06-21 US disclosed