SCHEMBL4940686

SCHEMBL4940686

C=CCNC(C)C(C)NCC=C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL1324928 0.88
Hydrochloric Acid SCHEMBL25349090 0.86 SLC6A4 (0.35) SLC6A4
SCHEMBL9446588 0.84 SLC6A4 (0.34) SLC6A4ALDH1A1TSHR
SCHEMBL17664711 0.84 SLC6A4 (0.34) SLC6A4
Hydrochloric Acid SCHEMBL28710001 0.82 SLC6A4 (0.33) SLC6A4ALDH1A1TSHR
SCHEMBL8416121 0.81 SLC6A4 (0.38) SLC6A4ALDH1A1TSHR
SCHEMBL468003 0.81
SCHEMBL9041659 0.80 SLC6A4 (0.33) SLC6A4
Hydrochloric Acid SCHEMBL9255979 0.79
Bromide SCHEMBL28594415 0.79

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
US-20080206502-A1 FLEXIBLE BARRIER MEMBRANES EMPLOYING POLY (HYDROXY AMINO ETHERS) CHANG YIHUA 2008-08-28 US claimed