SCHEMBL9067472

SCHEMBL9067472

CCCCCCCCCCCCCCC[Al](CC)CC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.50
DNM1 Q05193 7/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A1 O15245 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL4435485 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL1240788 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL406262 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL9854437 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL27535151 0.97 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL969291 0.97 TSHR (0.44) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL9854440 0.94 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL6053526 0.94 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL6053749 0.94 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL9506031 0.91 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5536859-A PARTIALLY OXIDIZED ALUMINUM ALKYL CHAIN GROWTH CATALYST AMOCO CORPORATION (US) 1996-07-16 US disclosed