SCHEMBL27419403

SCHEMBL27419403

C=C(C)C.C=C(C)C=CCCCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36

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
SCHEMBL1602927 0.98
SCHEMBL1664317 0.98
SCHEMBL11861309 0.91 KMT2A (0.52) TSHRMEN1CYP3A4KMT2APTPN1
SCHEMBL11861305 0.91 KMT2A (0.52) TSHRMEN1CYP3A4KMT2APTPN1
SCHEMBL29068171 0.88 KMT2A (0.55) TSHRMEN1CYP3A4KMT2APTPN1
SCHEMBL8405246 0.88 KMT2A (0.55) TSHRMEN1CYP3A4KMT2APTPN1
SCHEMBL3349265 0.88 KMT2A (0.55) TSHRMEN1CYP3A4KMT2APTPN1
SCHEMBL28565508 0.88 KMT2A (0.55) TSHRMEN1CYP3A4KMT2APTPN1
SCHEMBL7180732 0.88 KMT2A (0.55) TSHRMEN1CYP3A4KMT2APTPN1
SCHEMBL3349268 0.88 KMT2A (0.55) TSHRMEN1CYP3A4KMT2APTPN1

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
CN-105008436-A Sulfur-free, zinc-free curing systems for halobutyl and halogen-containing polymers LANXESS INC 2015-10-28 CN disclosed
CN-105008404-A Ionomer comprising pendant vinyl groups and processes for preparing same LANXESS INC 2015-10-28 CN disclosed
CN-1087651-A The electrically insulating film lining MINNESOTA MINING & MFG (US) 1994-06-08 CN disclosed