SCHEMBL1976768

SCHEMBL1976768

CCCC=C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
NAAA Q02083 1/20 0.44
HCAR2 Q8TDS4 2/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CES2 O00748 1/20 0.40
FAAH O00519 2/20 0.39
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
ACHE P22303 3/20 0.38

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
SCHEMBL10620681 0.83 TSHR (0.56) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL27880354 0.83 MGLL (0.46) TSHRALDH1A1FAAHATMACHE
SCHEMBL6374110 0.81 ALDH1A1 (0.48) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28297466 0.78 TSHR (0.61) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL678652 0.76 ALDH1A1 (0.50) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL27914201 0.75 TSHR (0.58) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28107689 0.75 TSHR (0.58) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28107607 0.75 TSHR (0.58) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28014419 0.75 TSHR (0.58) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL5864214 0.75 TSHR (0.58) TSHRNAAAHCAR2RAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512694-B1 ELECTRON BEAM CURING OF A COMPOSITION IN A VACUUM CHAMBER IDEON LLC (US) 2016-06-29 EP disclosed
US-8460762-B2 Electron beam curable composition for curing in a vacuum chamber IDEON LLC (US) 2013-06-11 US disclosed
EP-2512694-A2 ELECTRON BEAM CURABLE COMPOSITION FOR CURING IN A VACUUM CHAMBER Ideon LLC (US) 2012-10-24 EP disclosed
WO-2011084375-A2 ELECTRON BEAM CURABLE COMPOSITION FOR CURING IN A VACUUM CHAMBER IDEON LLC (US) 2011-07-14 WO disclosed
US-20110143046-A1 ELECTRON BEAM CURABLE COMPOSITION FOR CURING IN A VACUUM CHAMBER METALLIZED SURFACE TECHNOLOGIES, LLC 2011-06-16 US disclosed