SCHEMBL5332339

SCHEMBL5332339

C=CCBr.COC(=O)C(C)=C(C)C(C)N

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL41033 0.84 ALDH1A1 (0.39) ALDH1A1
Acrylamide SCHEMBL9256326 0.83 ALDH1A1 (0.39) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL2533779 0.82 ALDH1A1 (0.37) ALDH1A1
Chloromethane SCHEMBL534680 0.80 ALDH1A1 (0.36) ALDH1A1
Acetic Acid SCHEMBL10617960 0.80 ALDH1A1 (0.36) ALDH1A1
Sulfuric Acid SCHEMBL28152931 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10585155 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9545822 0.69 LMNA (0.33)
(Chloromethyl)Benzene SCHEMBL21805966 0.68 LTA4H (0.39)
SCHEMBL446082 0.67 ALDH1A1 (0.34) ALDH1A1

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
WO-2007044349-A1 ANTISTATIC ADDITIVE AND TAPES MADE THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-19 WO claimed
US-20070082196-A1 Antistatic additive and tapes made therefrom 3M INNOVATIVE PROPERTIES COMPANY 2007-04-12 US claimed
WO-2007044349-A1 ANTISTATIC ADDITIVE AND TAPES MADE THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-19 WO disclosed
US-20070082196-A1 Antistatic additive and tapes made therefrom 3M INNOVATIVE PROPERTIES COMPANY 2007-04-12 US disclosed