SCHEMBL8512227

SCHEMBL8512227

CCCC[N+]1([O-])CCNC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 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
SCHEMBL3661326 0.94 GNAI3 (0.38) GNAI3GNAO1GNAI1
SCHEMBL6561478 0.92 GNAI3 (0.40) GNAI3GNAO1GNAI1
SCHEMBL6890839 0.92 GNAI3 (0.40) GNAI3GNAO1GNAI1
SCHEMBL7061616 0.92 GNAI3 (0.40) GNAI3GNAO1GNAI1
SCHEMBL8160090 0.81 GNAO1 (0.43) GNAI3GNAO1GNAI1
SCHEMBL11594967 0.79
SCHEMBL3513744 0.79
SCHEMBL727413 0.78
SCHEMBL11595655 0.78
SCHEMBL11597294 0.76

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-0743956-A4 PRETARGETING METHODS AND COMPOUNDS NEORX CORP (US) 1999-03-24 EP claimed
EP-0743956-A1 PRETARGETING METHODS AND COMPOUNDS NeoRx (US) 1996-11-27 EP claimed
CN-113980749-B Liquid detergent composition 广州立白企业集团有限公司 2024-01-26 CN disclosed
CN-113980749-A Liquid detergent composition 广州立白企业集团有限公司 2022-01-28 CN disclosed