SCHEMBL21628093

SCHEMBL21628093

C=Cc1ccc([SiH2]C(C)(NC)NC)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL609389 0.73 ALDH1A1 (0.42) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL8759242 0.73 ALDH1A1 (0.42) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL26919156 0.73 ALDH1A1 (0.42) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL6695040 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL21727751 0.69 ALDH1A1 (0.48) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL610997 0.69 ALDH1A1 (0.38) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL8679106 0.69 CHRNB2 (0.38) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL8165840 0.68 ALDH1A1 (0.58) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL608120 0.67 ALDH1A1 (0.35) ALDH1A1HDAC8CHRNB2CHRNB4CHRNA3
Styrene SCHEMBL11032968 0.67 ALDH1A1 (0.64) ALDH1A1TSHRHDAC8TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377513-B2 Conjugated diene polymer and method for producing conjugated diene polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-07-05 US disclosed
US-20200031976-A1 CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-01-30 US disclosed