SCHEMBL1950753

SCHEMBL1950753

C=Cc1cccc(CCl)c1CC

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GABRA1 P14867 4/20 0.33
GABRB2 P47870 4/20 0.33

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
SCHEMBL2130786 0.86 ALDH1A1 (0.40) ALDH1A1GABRA1GABRB2
SCHEMBL29407303 0.86 GABRA1 (0.41) ALDH1A1GABRA1GABRB2
SCHEMBL59712 0.86 GABRA1 (0.41) ALDH1A1GABRA1GABRB2
Methylamine SCHEMBL28448210 0.85 GABRA1 (0.40) ALDH1A1GABRA1GABRB2
SCHEMBL6285104 0.85 GABRA1 (0.35) ALDH1A1GABRA1GABRB2
SCHEMBL6426096 0.82 ALDH1A1 (0.41) ALDH1A1GABRA1GABRB2
SCHEMBL10618417 0.81 GABRA1 (0.38) ALDH1A1GABRA1GABRB2
SCHEMBL9009922 0.81 GABRA1 (0.38) ALDH1A1GABRA1GABRB2
SCHEMBL6908927 0.80 GABRA1 (0.44) ALDH1A1GABRA1GABRB2
SCHEMBL28558540 0.79 GABRA1 (0.39) ALDH1A1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138230-B1 Free Radical Post-Crosslinked Adsorbent and Method of Preparation ROHM & HAAS (US) 2015-01-21 EP disclosed
US-8076384-B2 Free radical post-crosslinked adsorbent and method of preparation ROHM AND HAAS COMPANY (US) 2011-12-13 US disclosed
US-20110136926-A1 Catalysts for Olefin Hydration and Method of Preparation ROHM AND HAAS COMPANY 2011-06-09 US disclosed
US-20090326086-A1 Free radical post-crosslinked adsorbent and method of preparation ROHM AND HAAS COMPANY 2009-12-31 US disclosed
US-20090325798-A1 Friedel-crafts post-crosslinked adsorbent and method of preparation XU MANCAI 2009-12-31 US disclosed
EP-2138230-A2 Free Radical Post-Crosslinked Adsorbent and Method of Preparation Rohm and Haas Company (US) 2009-12-30 EP disclosed
EP-2138229-A2 Friedel-Crafts Post-Crosslinked Adsorbent and Method of Preparation Rohm and Haas Company (US) 2009-12-30 EP disclosed