SCHEMBL12715229

SCHEMBL12715229

CCC1(C)OC(=O)C(=C/C=C(C)/C=C/C2=C(O)OC3(CCC4(CC3)OC(=O)C(=C/C=C(C)/C=C/C3=C(O)OC5(CCC6(CC5)OC(=O)C(=C/C=C(C)/C=C/C5=C(O)OC(C)(CC)OC5=O)C(=O)O6)OC3=O)C(=O)O4)OC2=O)C(=O)O1

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
SCHEMBL12744382 0.92 KDM4E (0.30) —
SCHEMBL12715202 0.92 — —
SCHEMBL12216663 0.86 ALDH1A1 (0.37) —
SCHEMBL14442045 0.84 KDM4E (0.32) —
SCHEMBL12715131 0.83 APP (0.34) —
SCHEMBL12715209 0.83 APP (0.34) —
SCHEMBL12715235 0.83 — —
SCHEMBL12715180 0.82 APP (0.35) —
SCHEMBL12715206 0.82 ALDH1A1 (0.30) —
SCHEMBL12715227 0.82 — —

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
US-7924697-B2 Optical information recording medium, image-recording method and method of utilizing a dye FUJIFILM CORPORATION (JP) 2011-04-12 — — US disclosed
US-20090092024-A1 OPTICAL INFORMATION RECORDING MEDIUM, IMAGE-RECORDING METHOD AND METHOD OF UTILIZING A DYE FUJIFILM CORPORATION (JP) 2009-04-09 — — US disclosed
US-20090092024-A1 OPTICAL INFORMATION RECORDING MEDIUM, IMAGE-RECORDING METHOD AND METHOD OF UTILIZING A DYE FUJIFILM CORPORATION (JP) 2009-04-09 — — US disclosed
US-20080090174-A1 Novel Oxonol Dye Compounds and Optical Information Recording Medium FUJIFILM CORPORATION (JP) 2008-04-17 — — US disclosed
US-20080090174-A1 Novel Oxonol Dye Compounds and Optical Information Recording Medium FUJIFILM CORPORATION (JP) 2008-04-17 — — US disclosed
Send feedback