SCHEMBL3288478

SCHEMBL3288478

O=CC#CCCl

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
SCHEMBL16161246 0.75
SCHEMBL16161241 0.71
SCHEMBL16161157 0.69
SCHEMBL16161158 0.68 ALDH1A1 (0.31)
SCHEMBL9634826 0.68 ALDH1A1 (0.31)
SCHEMBL16161108 0.68 ALDH1A1 (0.31)
SCHEMBL16161096 0.68 ALDH1A1 (0.31)
SCHEMBL16161165 0.68 ALDH1A1 (0.31)
SCHEMBL16161135 0.68 ALDH1A1 (0.31)
SCHEMBL10032063 0.67

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-7022862-B2 Scalable synthesis of dipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2006-04-04 US claimed
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 US claimed
US-7718794-B2 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers NORTH CAROLINA STATE UNIVERSITY (US) 2010-05-18 US disclosed
US-20080194839-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS NORTH CAROLINA STATE UNIVERSITY (US) 2008-08-14 US disclosed
US-7378520-B2 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers NORTH CAROLINA STATE UNIVERSITY (US) 2008-05-27 US disclosed
EP-1763317-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS North Carolina State University (US) 2007-03-21 EP disclosed
US-7022862-B2 Scalable synthesis of dipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2006-04-04 US disclosed
WO-2006016943-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS NORTH CAROLINA STATE UNIVERSITY (US) 2006-02-16 WO disclosed
US-20060009638-A1 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers ZETTACORE, INC. 2006-01-12 US disclosed
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 US disclosed