SCHEMBL16161007

SCHEMBL16161007

CS(=O)(=O)C1CCCCC1O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
TSHR P16473 1/20 0.30
GSR P00390 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
ACHE P22303 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
SCHEMBL10654210 0.95 CA1 (0.35) CA1CA2CA4ACHE
SCHEMBL1501243 0.77 CA1 (0.36) CA1CA2CA4TSHRGSR
Hydrochloric Acid SCHEMBL28298669 0.75 CA1 (0.35) CA1CA2CA4TSHRGSR
SCHEMBL17511344 0.75 CA1 (0.35) CA1CA2CA4TSHRGSR
SCHEMBL12682051 0.75 CA1 (0.39) CA1CA2CA4TSHRGSR
SCHEMBL16289499 0.75 CA1 (0.39) CA1CA2CA4TSHRGSR
SCHEMBL19879324 0.75 CA1 (0.36) CA1CA2CA4
SCHEMBL12495106 0.75 CA1 (0.36) CA1CA2CA4CA7CA9
SCHEMBL8359805 0.73 CA1 (0.33) CA1CA2CA4
SCHEMBL6558403 0.73 CA1 (0.34) CA1CA2CA4CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408093-B1 COLORED IMAGE-FORMING COMPOSITIONS CONTAINING PHTHALOCYANINE COMPOUND, INKS, INKJET INKS, INKJET RECORDING METHOD AND METHOD OF IMPROVING TOLERANCE TO DECOLORATION DUE TO OZONE GAS FUJIFILM CORP (JP) 2018-02-21 EP disclosed
EP-2981536-B1 N-PHENYL-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2017-06-14 EP disclosed
WO-2014161888-A1 N-PHENYL-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN R&D IRELAND (IE) 2014-10-09 WO disclosed