SCHEMBL28042531

SCHEMBL28042531

C=C(F)OCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
NAAA Q02083 1/20 0.50
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX1 P07099 1/20 0.47
HCAR2 Q8TDS4 1/20 0.42
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 4/20 0.41

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
SCHEMBL28042581 1.00 TSHR (0.55) TSHRNAAACA12CA1CA2
SCHEMBL28328846 1.00 TSHR (0.55) TSHRNAAACA12CA1CA2
SCHEMBL29116596 1.00 TSHR (0.55) TSHRNAAACA12CA1CA2
SCHEMBL12451150 0.98
SCHEMBL2370146 0.80 NAAA (0.54) TSHRNAAACA12CA1CA2
SCHEMBL9418241 0.79 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL11938098 0.79 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL31533758 0.79 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL9418256 0.79 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL1322024 0.79 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1

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
CN-107108795-B Fluorine-containing pyrolytic resin, anti-corrosion agent composition, color filter protecting layer composition, etchant resist and color filter protecting layer DIC株式会社 2019-11-05 CN disclosed
CN-105573053-A MANUFACTURING METHOD FOR SUBSTRATE HAVING LYOPHILIC PORTION AND LYOPHOBIC PORTION, APPLICATION, COMPOSITION, AND RADIO-SENSITIVE RESIN COMPOSITION JSR CORP 2016-05-11 CN disclosed
CN-105143977-A Method for producing substrate having concave pattern, composition, method for forming conductive film, electronic circuit, and electronic device JSR CORP 2015-12-09 CN disclosed