SCHEMBL2546768

SCHEMBL2546768

CC1(C(=O)O)CC=CC(C(=O)O)=N1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.32

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
SCHEMBL1651480 0.63 FFAR3 (0.31) FFAR3
SCHEMBL3864826 0.61
SCHEMBL5048266 0.60
SCHEMBL16850625 0.60
SCHEMBL6835640 0.59 GABRA5 (0.37) FFAR3
SCHEMBL17501779 0.58 FFAR3 (0.30) FFAR3
SCHEMBL6219705 0.57
SCHEMBL5912864 0.57
SCHEMBL14849744 0.57
SCHEMBL2544286 0.57 FFAR3 (0.33) FFAR3

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
US-8044166-B2 Process for preparing pentamethylene 1,5-diisocyanate BASF AKTIENGESELLSCHAFT (DE) 2011-10-25 US disclosed
US-20090292100-A1 PROCESS FOR PREPARING PENTAMETHYLENE 1,5-DIISOCYANATE BASF SE (DE) 2009-11-26 US disclosed