SCHEMBL4080550

SCHEMBL4080550

NC1CCC(CF)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
SCHEMBL15944916 1.00
Hydrochloric Acid SCHEMBL7447267 0.97
SCHEMBL322743 0.83
SCHEMBL15046589 0.82
SCHEMBL16202713 0.82
Hydrochloric Acid SCHEMBL15663092 0.80
SCHEMBL13817489 0.80 SIGMAR1 (0.34)
SCHEMBL14616112 0.78 SIGMAR1 (0.33)
SCHEMBL4093884 0.77 SIGMAR1 (0.31)
Hydrochloric Acid SCHEMBL19732802 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US claimed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO claimed
EP-2955181-B1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL CORP (JP) 2019-10-30 EP disclosed
US-9475813-B2 Tricyclic pyrrolopyridine compound, and JAK inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-25 US disclosed
US-20150368245-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-24 US disclosed
EP-2955181-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-12-16 EP disclosed
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
WO-2007134127-A3 AGENTS FOR IMAGING APOPTOSIS UNIV TEXAS (US) 2008-01-17 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed