SCHEMBL445849

SCHEMBL445849

O=C1CC2(CCCC2(C(=O)O)C(=O)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
SCHEMBL16045815 0.72 LMNA (0.31)
SCHEMBL314925 0.69
SCHEMBL2436308 0.66
Hydrochloric Acid SCHEMBL627730 0.66 FFAR3 (0.40)
SCHEMBL20679 0.66 FFAR3 (0.40)
Hydrochloric Acid SCHEMBL2294530 0.66 FFAR3 (0.40)
SCHEMBL2122117 0.66 AKR1C1 (0.31)
Water SCHEMBL7059570 0.63 FFAR3 (0.38)
SCHEMBL4451736 0.63 FFAR3 (0.38)
Ammonia Solution, Strong SCHEMBL11323082 0.63 FFAR3 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735040-B2 Toner, developer, and image forming apparatus RICOH COMPANY, LTD. (JP) 2014-05-27 US disclosed
US-20130171550-A1 TONER, DEVELOPER, AND IMAGE FORMING APPARATUS RICOH COMPANY, LTD. (JP) 2013-07-04 US disclosed
US-20120065357-A1 RESIN FOR USE IN TONER, AND TONER AND DEVELOPER USING THE RESIN RICOH COMPANY, LTD. (JP) 2012-03-15 US disclosed
WO-2008153286-A2 AROMATIC DIAMINES WITH A PHOTOREACTIVE AROMATIC SIDE GROUP, POLYAMIC ACID PHOTO-ALIGNMENT LAYERS WITH THEM AND METHOD FOR PREPARING LIQUID CRYSTAL CELLS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 WO disclosed