SCHEMBL12901031

SCHEMBL12901031

CC1(C)c2ccccc2-[n+]2ccc(/C=C/C=C/C3=C(O)c4ccccc4S3(=O)=O)cc21

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
SCHEMBL12901154 0.80
SCHEMBL12901156 0.78
SCHEMBL12901032 0.75 CHAT (0.41)
SCHEMBL12901145 0.74 GPR3 (0.36)
SCHEMBL12901132 0.71 KMT2A (0.47)
SCHEMBL12901133 0.70 CHAT (0.47)
SCHEMBL12901055 0.69 APP (0.30)
SCHEMBL7473284 0.67 GPR3 (0.44)
SCHEMBL7473289 0.67 GPR3 (0.44)
SCHEMBL12901155 0.66 ESR1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835632-B2 Methods to increase the photostability of dyes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-16 US disclosed
US-8835632-B2 Methods to increase the photostability of dyes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-16 US disclosed
US-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-24 US disclosed
US-7592188-B2 environmentally sensitive fluorescent dye covalently linked to a binding domain which has specific affinity for a target molecule; fluorescence resonance energy transfer; detecting changes in the binding, conformational change; detecting human immunodeficiency virus THE SCRIPPS RESEARCH INSTITUTE (US) 2009-09-22 US disclosed
US-7592188-B2 environmentally sensitive fluorescent dye covalently linked to a binding domain which has specific affinity for a target molecule; fluorescence resonance energy transfer; detecting changes in the binding, conformational change; detecting human immunodeficiency virus THE SCRIPPS RESEARCH INSTITUTE (US) 2009-09-22 US disclosed
WO-2008157762-A2 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-12-24 WO disclosed