SCHEMBL21962005

SCHEMBL21962005

C=CC(=C)CCC=C(C)CCC=C(C)CCC(C)=CC

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
KMT2A Q03164 3/20 0.45
ALOX15 P16050 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
UGT1A1 P22309 1/20 0.41
SQLE Q14534 6/20 0.39
LSS P48449 2/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL21962002 1.00 TSHR (0.61) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL11360697 0.86 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL16820318 0.86 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL9017212 0.86 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL30008712 0.86 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL11360694 0.86 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL83306 0.86 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL83308 0.86 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL5179833 0.85 TSHR (0.57) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL5179821 0.85 TSHR (0.57) TSHRKMT2AALOX15MAPTMEN1

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-4077601-A1 POLYMERIC SURFACTANT COMPOUND The Lubrizol Corporation (US) 2022-10-26 EP claimed
EP-4077601-A1 POLYMERIC SURFACTANT COMPOUND The Lubrizol Corporation (US) 2022-10-26 EP disclosed
EP-3880775-A1 ALKYLBENZENE SULFONATE DETERGENTS The Lubrizol Corporation (US) 2021-09-22 EP disclosed
WO-2020102672-A1 ALKYLBENZENE SULFONATE DETERGENTS THE LUBRIZOL CORPORATION (US) 2020-05-22 WO disclosed