SCHEMBL1783743

SCHEMBL1783743

CC(C)CC/C=C/C=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL1783745 1.00
SCHEMBL28454751 0.90 ALDH1A1 (0.50)
SCHEMBL31497244 0.90 ALDH1A1 (0.50)
SCHEMBL31497248 0.90 ALDH1A1 (0.50)
SCHEMBL1783811 0.85 ALDH1A1 (0.45)
SCHEMBL1783808 0.85 ALDH1A1 (0.45)
SCHEMBL1785858 0.83 ALDH1A1 (0.48)
SCHEMBL31132206 0.83 ALDH1A1 (0.48)
SCHEMBL1782402 0.83 TRPA1 (0.39)
SCHEMBL1782401 0.83 TRPA1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241822-A1 COMPOSITION FOR REMOVING IRON SULFIDE KURARAY CO., LTD. (JP) 2019-08-08 US disclosed
EP-3486353-A1 COMPOSITION FOR REMOVING IRON SULFIDE Kuraray Co., Ltd. (JP) 2019-05-22 EP disclosed
CN-109415819-A For removing the composition of iron sulfide 株式会社可乐丽 2019-03-01 CN disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-7307379-B2 Electron emitting element and image forming apparatus employing it SHARP KABUSHIKI KAISHA (JP) 2007-12-11 US disclosed
US-20060186786-A1 Electron emitting element and image forming apparatus employing it SHARP KABUSHIKI KAISHA (JP) 2006-08-24 US disclosed