SCHEMBL5874405

SCHEMBL5874405

O=C(CCC(=O)O[n+]1ccccc1)O[n+]1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5875270 0.91 TSHR (0.37) TSHR
SCHEMBL5875252 0.91 TSHR (0.32) TSHRTDP1
SCHEMBL5875417 0.89 LMNA (0.35) TSHRTDP1
SCHEMBL5874610 0.87 ALDH1A1 (0.44) TSHRKMT2A
SCHEMBL5874277 0.85 KMT2A (0.30) KMT2A
SCHEMBL5875457 0.83 KDM4E (0.42) TSHRKMT2A
SCHEMBL5227646 0.82 L3MBTL1 (0.34) TSHRTDP1
SCHEMBL4661613 0.81 ELANE (0.35) KMT2A
SCHEMBL1845257 0.81 TSHR (0.33) TSHR
SCHEMBL8723536 0.81

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-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed