SCHEMBL3017748

SCHEMBL3017748

CC(=O)CC(C)(C)C(Cc1ccc[nH]1)[N+](=O)[O-]

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
SCHEMBL12163625 0.78
SCHEMBL8972140 0.77 CREBBP (0.30)
SCHEMBL13463768 0.76 RAB9A (0.34)
SCHEMBL10232299 0.72
SCHEMBL27611568 0.70 MAPT (0.31)
SCHEMBL18471495 0.70 ALDH1A1 (0.34)
SCHEMBL14095925 0.69
SCHEMBL6338128 0.64
SCHEMBL4269732 0.64 MAPT (0.34)
Butanone SCHEMBL29004226 0.63 ALDH1A1 (0.42)

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9417245-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2016-08-16 US disclosed
US-20150153350-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 US disclosed
US-8980565-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2015-03-17 US disclosed
US-8546088-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2013-10-01 US disclosed
US-20120277420-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120277420-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120277420-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120244551-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-09-27 US disclosed
US-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-09-27 US disclosed
US-8212055-B2 Refined routes to chlorin building blocks NORTH CAROLINA STATE UNIVERSITY (US) 2012-07-03 US disclosed
US-20090075295-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 US disclosed
US-20090069558-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-12 US disclosed
US-20090069558-A1 REFINED ROUTES TO CHLORIN BUILDING BLOCKS NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-12 US disclosed
US-7470785-B2 Refined routes to chlorin building blocks NORTH CAROLINA STATE UNIVERSITY (US) 2008-12-30 US disclosed
US-7470785-B2 Refined routes to chlorin building blocks NORTH CAROLINA STATE UNIVERSITY (US) 2008-12-30 US disclosed
WO-2007064841-A2 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NORTH CAROLINA STATE UNIVERSITY (US) 2007-06-07 WO disclosed
WO-2007064842-A2 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NORTH CAROLINA STATE UNIVERSITY (US) 2007-06-07 WO disclosed
US-6946552-B2 Refined routes to chlorin building blocks NORTH CAROLINA STATE UNIVERSITY (US) 2005-09-20 US disclosed
US-20050165228-A1 Refined routes to chlorin building blocks NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-07-28 US disclosed
US-20030096989-A1 Refined routes to chlorin building blocks NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-22 US disclosed