SCHEMBL28331858

SCHEMBL28331858

C=Cc1ccc(C#C[SiH3])cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ FFAR1 O14842 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
SCHEMBL2430307 0.76 ALDH1A1 (0.59) ALDH1A1TSHRFFAR1
SCHEMBL24384355 0.76 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL6514299 0.73 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL26080903 0.73 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL473081 0.72 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL7639 0.72 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL8767071 0.72 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL22722365 0.71 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL26216836 0.71 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL436135 0.71 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HDAC8CHRNB2

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
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 — — CN disclosed
CN-110520413-A Big ring broad-spectrum antibiotic RQX PHARMACEUTICALS INC 2019-11-29 — — CN disclosed
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