SCHEMBL4178775

SCHEMBL4178775

Cc1ccc(C2=C3C=CC(=N3)C=C3N=C(C=C4N=C(C=C4Br)C(c4c(C)cc(C)cc4C)=C4C=CC2=N4)CC3(C)C)cc1

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
SCHEMBL4171520 0.83 — —
SCHEMBL6977673 0.73 — —
SCHEMBL5064190 0.72 — —
SCHEMBL7086744 0.71 — —
SCHEMBL5064183 0.71 — —
SCHEMBL5064189 0.70 — —
SCHEMBL6720427 0.69 RAPGEF4 (0.35) —
SCHEMBL7157385 0.67 — —
SCHEMBL5065484 0.66 — —
SCHEMBL3018266 0.66 — —

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 10 patents. 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-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-8207329-B2 Synthesis of chlorins and phorbines with enhanced red spectral features NORTH CAROLINA STATE UNIVERSITY (US) 2012-06-26 — — US disclosed
US-8187824-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-29 — — US disclosed
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-10 — — 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
Send feedback