SCHEMBL56331

SCHEMBL56331

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nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CA1 P00915 1/20 0.39
NT5E P21589 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3781 1.00
SCHEMBL6905632 0.95 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
Methane SCHEMBL7363776 0.95 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
SCHEMBL2785122 0.95 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
Water SCHEMBL10934974 0.95 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
Phosphine SCHEMBL10457030 0.95 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
Sulfuric Acid SCHEMBL560688 0.95 CA5A (0.55) CA2TSHRTDP1CA5ACA5B
SCHEMBL10495537 0.95 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
Water SCHEMBL2456364 0.95 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
SCHEMBL337658 0.95 CA2 (0.50) CA2TSHRTDP1CA5ACA5B

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-3897858-A1 COMPOSITION COMPRISING A MODIFIED PHOTO-DIMERIZABLE POLYMER AND AN ALKALINE AGENT AND/OR AN AMINO ALKOXYSILANE DERIVATIVE AND TREATMENT METHOD IMPLEMENTING THE COMPOSITION L'OREAL (FR) 2021-10-27 EP disclosed
WO-2020127230-A1 COMPOSITION COMPRISING A MODIFIED PHOTO-DIMERIZABLE POLYMER AND AN ALKALINE AGENT AND/OR AN AMINO ALKOXYSILANE DERIVATIVE AND TREATMENT METHOD IMPLEMENTING THE COMPOSITION L'OREAL (FR) 2020-06-25 WO disclosed
CN-104812754-A Tetrahydropyroberberine compounds and their use in the treatment of neurological, psychiatric and degenerative neurological disorders MILLER JAMES JACKSON 2015-07-29 CN disclosed
CN-102812525-A Extruded flexible flat cable YAZAKI CORP 2012-12-05 CN disclosed