SCHEMBL4455336

SCHEMBL4455336

CCCCCCCCC[CH]CCCF

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
THRB P10828 1/20 0.42
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
DNM1 Q05193 9/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL7519180 0.95 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL7516424 0.95 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL942766 0.95 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL16335520 0.95 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL608444 0.95 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL3180403 0.95 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL200253 0.95 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL10758355 0.95 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL11136407 0.95 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL7513498 0.95 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1

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
US-20090189127-A1 Optical resin lens and production method for optical resin material KONICA MINOLTA OTPO, INC. (JP) 2009-07-30 US disclosed
EP-0463464-B1 Process for the preparation of 2-chloro-5-methylpyridine BAYER AG (DE) 1995-03-08 EP disclosed
EP-0463464-A1 Process for the preparation of 2-chloro-5-methylpyridine BAYER AG (DE) 1992-01-02 EP disclosed