SCHEMBL5897818

SCHEMBL5897818

C/C(=C\C1(C)CCCC1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
FFAR3 O14843 1/20 0.33
CD81 P60033 1/20 0.31
AKR1C3 P42330 1/20 0.30
APLNR P35414 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
SCHEMBL1271391 1.00 PTGS1 (0.34) PTGS1FFAR3CD81AKR1C3APLNR
SCHEMBL1334942 0.98 PTGS1 (0.33) PTGS1FFAR3CD81
SCHEMBL3288618 0.98 PTGS1 (0.33) PTGS1FFAR3CD81
SCHEMBL479260 0.98 PTGS1 (0.33) PTGS1FFAR3CD81
SCHEMBL3292362 0.98 PTGS1 (0.33) PTGS1FFAR3CD81
SCHEMBL3291244 0.98 PTGS1 (0.33) PTGS1FFAR3CD81
SCHEMBL3287496 0.95 PTGS1 (0.34) PTGS1FFAR3CD81AKR1C3APLNR
SCHEMBL3288566 0.91 FFAR3 (0.36) PTGS1FFAR3CD81AKR1C3APLNR
SCHEMBL1271365 0.79 CD81 (0.31) CD81APLNR
SCHEMBL9234899 0.77 CYP2C19 (0.31) PTGS1AKR1C3

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
US-7014980-B2 Includes a polymer containing at least one of the following monomers: 1,1,1-trifluoro-2-trifluoromethyl-2-hydroxy-(4 or 5)-pentyl (meth)acrylate or 2-{[5-(1',1',1'-trifluoro-2'-trifluoromethyl-2'-hydroxy)propyl]norbornyl]}(meth)acrylate INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2006-03-21 US claimed
US-20050019696-A1 Photoresist composition INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2005-01-27 US claimed
US-6806026-B2 POLYMER OF A FLUORINATED HYDROXYALKYL ACRYLATE INTERNATIONAL BUSINESS MACHINES CORPORATION 2004-10-19 US claimed
US-20030224283-A1 Photoresist composition INTERNATIONAL BUSINESS MACHINES CORPORATION 2003-12-04 US claimed