SCHEMBL5856032

SCHEMBL5856032

CCCCC(=O)N[Zr](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
CETP P11597 1/20 0.34
ALDH1A1 P00352 2/20 0.33
P2RX7 Q99572 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.32
EPHX2 P34913 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RET P07949 1/20 0.31

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
SCHEMBL5855340 0.97 P2RX7 (0.37) CETPALDH1A1P2RX7POLBEPHX2
SCHEMBL5855689 0.96 P2RX7 (0.39) CETPALDH1A1P2RX7EPHX2MEN1
SCHEMBL5853751 0.96 P2RX7 (0.39) CETPALDH1A1P2RX7EPHX2MEN1
SCHEMBL5853457 0.93 ALOX5 (0.36) HTTALDH1A1HPGDL3MBTL1MEN1
SCHEMBL5854556 0.88 RET (0.31) TSHRMEN1KMT2ARET
SCHEMBL5855720 0.88 ADORA1 (0.34) HTTCETPALDH1A1P2RX7TSHR
SCHEMBL5852559 0.85 EPHX2 (0.37) CETPALDH1A1P2RX7POLBEPHX2
SCHEMBL5854037 0.84 EPHX2 (0.39) CETPALDH1A1P2RX7POLBEPHX2
SCHEMBL5854284 0.84 EPHX2 (0.39) CETPALDH1A1P2RX7POLBEPHX2
SCHEMBL6066698 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed