SCHEMBL19902814

SCHEMBL19902814

C=CCCN(C)/C(C)=C/CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL18656793 0.76 TSHR (0.36) TSHRALDH1A1
SCHEMBL317345 0.75 TSHR (0.41) TSHRALDH1A1
SCHEMBL317012 0.75 TSHR (0.41) TSHRALDH1A1
SCHEMBL27858770 0.72
SCHEMBL9715391 0.71
Ammonia Solution, Strong SCHEMBL27880252 0.70
Hydrochloric Acid SCHEMBL27310691 0.70
SCHEMBL17002428 0.69
SCHEMBL27397207 0.68
SCHEMBL3250320 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3033337-B1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2018-02-28 EP disclosed