SCHEMBL13865795

SCHEMBL13865795

CC(C)(O)C#CC(C)(C)OCCO

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
SCHEMBL14616987 0.91 ALDH1A1 (0.33)
SCHEMBL16141279 0.82 TSHR (0.34)
SCHEMBL28655696 0.77
SCHEMBL7207097 0.75
SCHEMBL15861754 0.74 CHRM2 (0.33)
SCHEMBL12452287 0.73 ALDH1A1 (0.32)
SCHEMBL8283335 0.72
Hydrochloric Acid SCHEMBL28470817 0.72
SCHEMBL9610074 0.71
SCHEMBL15197558 0.69 TSHR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206326-B2 Ink composition, inkjet recording ink, and inkjet recording method FUJIFILM CORPORATION (JP) 2015-12-08 US disclosed
US-20150062265-A1 INK COMPOSITION, INKJET RECORDING INK, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2015-03-05 US disclosed
US-7527683-B2 Ink for ink-jet recording, ink set, and ink-jet recording method FUJIFILM CORPORATION (JP) 2009-05-05 US disclosed
US-7520928-B2 Black ink composition, ink set containing the same, and ink jet recording method FUJIFILM CORPORATION (JP) 2009-04-21 US disclosed
US-7438752-B2 Ink composition and recording method FUJIFILM CORPORATION (JP) 2008-10-21 US disclosed
US-7404851-B2 Ink composition and recording method using the same FUJIFILM CORPORATION (JP) 2008-07-29 US disclosed
US-20080043079-A1 Black Ink Composition, Ink Set Containing the Same, and Ink Jek Recording Method FUJIFILM CORPORATION (JP) 2008-02-21 US disclosed
US-7311391-B2 Ink composition and ink jet recording method FUJIFILM CORPORATION (JP) 2007-12-25 US disclosed
US-7291213-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2007-11-06 US disclosed
US-20070176992-A1 Ink composition and recording method FUJIFILM CORPORATION (JP) 2007-08-02 US disclosed
US-20070176991-A1 Ink composition and recording method using the same FUJIFILM CORPORATION (JP) 2007-08-02 US disclosed