SCHEMBL8333381

SCHEMBL8333381

CC[N+](C)(C)C.O=C([O-])C=CCl

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 4/20 0.50
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
SLC22A16 Q86VW1 1/20 0.31

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
Fumaric Acid SCHEMBL4951502 0.85 BBOX1 (0.58) BBOX1CA1CA9SLC22A16
Fumaric Acid SCHEMBL4917936 0.85 BBOX1 (0.58) BBOX1CA1CA9SLC22A16
Fumaric Acid SCHEMBL4917599 0.85 BBOX1 (0.58) BBOX1CA1CA9SLC22A16
Fumaric Acid SCHEMBL6853046 0.83 BBOX1 (0.56) BBOX1CA1CA9SLC22A16
Fumaric Acid SCHEMBL4926059 0.77 BBOX1 (0.50) BBOX1CA1CA9
Fumaric Acid SCHEMBL4953256 0.77 BBOX1 (0.50) BBOX1CA1CA9
Fumaric Acid SCHEMBL4926168 0.77 BBOX1 (0.50) BBOX1CA1CA9
Silver SCHEMBL11454339 0.77
SCHEMBL6913926 0.77 CA1 (0.36) BBOX1CA1CA9
SCHEMBL1979845 0.77

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807659-B1 Polyolefin-based composite material and production process therefor SHOWA DENKO KK (JP) 1999-11-03 EP disclosed
US-5939184-A GRAFT OR BLOCK COPOLYMER CONTAINING UNSATURATED CARBOXYLIC ACID OR DERIVATIVES AND LIPOPHILIC INTERSTRATIFIED COMPOUND WITH A TETRAALKYLAMMONIUM CATION INSERTED IN A SWELLABLE STRATIFORM SILICATE; IMPACT STRENGTH, HEAT RESISTANCE SHOWA DENKO K.K. (JP) 1999-08-17 US disclosed
EP-0807659-A1 Polyolefin-based composite material and production process therefor SHOWA DENKO KABUSHIKI KAISHA (JP) 1997-11-19 EP disclosed