SCHEMBL12028014

SCHEMBL12028014

CCCOC(C)(C#CC(C)(CC(C)C)OCCO)CC(C)C

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
SCHEMBL840716 0.93
SCHEMBL15775971 0.86
SCHEMBL8283335 0.86
SCHEMBL15247170 0.84
SCHEMBL11886060 0.83
SCHEMBL16305216 0.83
SCHEMBL17902753 0.83
SCHEMBL1628712 0.82 MEN1 (0.39)
SCHEMBL13871756 0.79
SCHEMBL13588312 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2960691-A1 NEAR-INFRARED ABSORBING COMPOSITION, NEAR-INFRARED BLOCKING FILTER, METHOD FOR PRODUCING NEAR-INFRARED BLOCKING FILTER, CAMERA MODULE AND METHOD FOR MANUFACTURING CAMERA MODULE Fujifilm Corporation (JP) 2015-12-30 EP disclosed
US-8465577-B2 Blue, red, and yellow dye compounds, and black ink composition comprising the same EVERLIGHT USA, INC. (US) 2013-06-18 US disclosed
US-20110308425-A1 BLUE, RED, AND YELLOW DYE COMPOUNDS, AND BLACK INK COMPOSITION COMPRISING THE SAME EVERLIGHT USA, INC. (US) 2011-12-22 US disclosed