SCHEMBL21694403

SCHEMBL21694403

BrCC1=CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.53
CES1 P23141 2/20 0.32
MAOA P21397 2/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HTR7 P34969 1/20 0.31
MAOB P27338 1/20 0.30
BCHE P06276 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
SCHEMBL1822774 0.83 HTR6 (0.50) HTR6CES1MAOAHTR7
SCHEMBL7618202 0.82 HTR6 (0.67) HTR6CES1MAOATSHRHTR7
SCHEMBL2338975 0.82 HTR6 (0.56) HTR6CES1MAOAHTR7MAOB
SCHEMBL31121639 0.82 HTR6 (0.56) HTR6CES1MAOAHTR7MAOB
SCHEMBL11545776 0.80 HTR6 (0.47) HTR6HTR7
SCHEMBL28424372 0.79 SIGMAR1 (0.46) HTR6CES1MAOAALDH1A1MAOB
SCHEMBL16340495 0.79 HTR6 (0.46) HTR6HTR7
SCHEMBL3614042 0.78 HTR6 (0.53) HTR6CES1MAOATSHRHTR7
SCHEMBL14189739 0.78 HTR6 (0.53) HTR6CES1MAOAALDH1A1HTR7
SCHEMBL3868123 0.78 HTR6 (0.53) HTR6CES1MAOAALDH1A1HTR7

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-112105654-A Curable resin mixture, curable resin composition, and cured product thereof 日本化药株式会社 2020-12-18 CN disclosed
WO-2020031935-A1 CURABLE RESIN MIXTURE, CURABLE RESIN COMPOSITION, AND CURED PRODUCT 日本化薬株式会社 2020-02-13 WO disclosed