SCHEMBL3477029

SCHEMBL3477029

C=Cc1ccccc1C(C)(C)CN

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PRMT1 Q99873 1/20 0.32

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
SCHEMBL2789090 0.82 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL30540422 0.82 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL2785208 0.81 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL10978703 0.79 TAAR1 (0.61) TAAR1ALDH1A1TSHRTDP1SLC6A2
SCHEMBL3473008 0.78 ALDH1A1 (0.35) TAAR1ALDH1A1
SCHEMBL3473343 0.78 ALDH1A1 (0.41) TAAR1ALDH1A1TSHRTDP1SLC6A2
SCHEMBL29801228 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTDP1
SCHEMBL27805 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL9567693 0.76 ALDH1A1 (0.40) TAAR1ALDH1A1TSHRTDP1SLC6A2
SCHEMBL7141124 0.75 ALDH1A1 (0.43) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006110540-A2 ANTIMICROBIAL POLYMER COATINGS AND A METHOD PRODUCING THEM VIA CHEMICAL VAPOUR DEPOSITION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-19 WO claimed
US-20060228966-A1 Chemical vapor deposition of antimicrobial polymer coatings MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-12 US claimed
CN-103764746-A Rubber composition and pneumatic tire SUMITOMO RUBBER IND 2014-04-30 CN disclosed
CN-103764747-A Rubber composition and pneumatic tire SUMITOMO RUBBER IND 2014-04-30 CN disclosed
US-20100303877-A1 Controlled Release Hydrogel Films BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-12-02 US disclosed
US-7563734-B2 Chemical vapor deposition of antimicrobial polymer coatings MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-21 US disclosed
WO-2006110540-A2 ANTIMICROBIAL POLYMER COATINGS AND A METHOD PRODUCING THEM VIA CHEMICAL VAPOUR DEPOSITION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-19 WO disclosed
US-20060228966-A1 Chemical vapor deposition of antimicrobial polymer coatings MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-12 US disclosed
US-5015551-A Resin particles dispersed in a dielectric nonaqueous solvent for making printing plates or sheets FUJI PHOTO FILM CO., LTD. (JP) 1991-05-14 US disclosed