SCHEMBL3294222

SCHEMBL3294222

CCCCCCCCCCCCCCCCNC#N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.48
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.46
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
THRB P10828 1/20 0.42
PPARA Q07869 2/20 0.38
GBA1 P04062 3/20 0.37
CASP2 P42575 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL10704404 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL3297525 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL30569492 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL28880194 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL3294242 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL3298926 1.00
SCHEMBL3297684 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL10889891 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL3299066 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL173848 0.97

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-7741390-B2 Coordination-polymeric triethanolamineperchlorato(triflato)metal inner complexes as additives for synthetic polymers ARTEMIS RESEARCH GMBH & CO. KG (DE) 2010-06-22 US disclosed
US-20090131564-A1 COORDINATION-POLYMERIC TRIETHANOLAMINEPERCHLORATO(TRIFLATO)METAL INNER COMPLEXES AS ADDITIVES FOR SYNTHETIC POLYMERS IKA INNOVATIVE KUNSTSTOFFAUFBEREITUNG GMBH & CO. KG (DE) 2009-05-21 US disclosed
US-20090105387-A1 Coordination-polymeric triethanolamineperchlorato(triflato)metal inner complexes as additives for synthetic polymers ARTEMIS RESEARCH GMBH & CO. KG (DE) 2009-04-23 US disclosed
US-4228233-A CYAN DYE FORMING, COLORLESS COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1980-10-14 US disclosed