SCHEMBL6911916

SCHEMBL6911916

CCCCCCCCO[Hf](OCCCCCCCC)(OCCCCCCCC)OCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
THRB P10828 2/20 0.47
DNM1 Q05193 8/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NAAA Q02083 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
SCHEMBL6754524 1.00 TSHR (0.47) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL6910664 1.00 TSHR (0.47) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL794970 0.97 THRB (0.41) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL468634 0.88 ADRB2 (0.45) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL1990305 0.80 ADRB2 (0.39) TSHRTHRBALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL9113756 0.77 TSHR (0.47) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL7595200 0.74 THRB (0.37) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL1988334 0.74 ADRB2 (0.39) TSHRTHRBALDH1A1CA1CA2
SCHEMBL7590880 0.74 THRB (0.37) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL7592531 0.74 THRB (0.37) TSHRTHRBDNM1MEN1KMT2A

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
EP-0969010-B1 Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2004-09-22 EP disclosed
US-6352953-B1 TRANSITION METAL COMPLEX HAVING 5-MEMBERED RING FORMED BY TRANSITION METAL COMPOUND OF GROUP IVB, TWO CARBONS, METAL OF GROUP IIIA AND HYDROGEN JAPAN POLYOLEFINS CO., LTD. (JP) 2002-03-05 US disclosed
US-6150544-A Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO., LTD. (JP) 2000-11-21 US disclosed
EP-0969010-A2 Transition metal compound and catalyst containing the same for polymerization of olefins Japan Polyolefins Co., Ltd. (JP) 2000-01-05 EP disclosed