SCHEMBL1705776

SCHEMBL1705776

C=CCC[CH]CCC=CC

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL124128 0.91
SCHEMBL313830 0.91
SCHEMBL6482950 0.91
SCHEMBL10887233 0.88 TSHR (0.40) TSHRALDH1A1
SCHEMBL10889731 0.88 TSHR (0.40) TSHRALDH1A1
SCHEMBL11705867 0.88 TSHR (0.40) TSHRALDH1A1
SCHEMBL10889736 0.88 TSHR (0.40) TSHRALDH1A1
SCHEMBL11705871 0.88 TSHR (0.40) TSHRALDH1A1
SCHEMBL10887235 0.88 TSHR (0.40) TSHRALDH1A1
SCHEMBL7626933 0.87 TSHR (0.40) TSHRALDH1A1

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-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP disclosed
EP-0605228-B1 Thiazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-03-01 EP disclosed
US-5536734-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-16 US disclosed
EP-0605228-A1 Thiazolidinedione derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-07-06 EP disclosed