SCHEMBL440039

SCHEMBL440039

O=[C]c1c[nH]cn1

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
Hydrochloric Acid SCHEMBL16876676 0.72
SCHEMBL6579198 0.68 MAP3K7 (0.33)
SCHEMBL3214413 0.64
Fluoxidine SCHEMBL11601291 0.62
SCHEMBL1160111 0.61
SCHEMBL7186922 0.61
SCHEMBL3679867 0.61
SCHEMBL12320643 0.58
SCHEMBL7561735 0.58
SCHEMBL16495060 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US claimed
EP-2450374-B9 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP claimed
US-20160221990-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE HAYFIN SERVICES LLP (GB) 2016-08-04 US claimed
EP-3044210-A2 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE Cortendo AB (publ) (US) 2016-07-20 EP claimed
US-20160194357-A1 Novel NPR-B Agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-07 US claimed
US-9260500-B2 Peptide and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-16 US claimed
EP-2450374-B1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-09-30 EP claimed
US-20130345136-A1 NOVEL NPR-B AGONISTS ALCON RESEARCH, LTD. (US) 2013-12-26 US claimed
US-20130345394-A1 NOVEL NPR-B AGONISTS ALCON RESEARCH, LTD. (US) 2013-12-26 US claimed
EP-2480247-A2 NOVEL NPR-B AGONISTS Alcon Research, Ltd. (US) 2012-08-01 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-0530992-A2 Enzymatic deprotection of peptides BEND RESEARCH, INC. (US) 1993-03-10 EP claimed
EP-0528629-A2 Enzymatic synthesis of renin inhibitors BEND RESEARCH, INC. (US) 1993-02-24 EP claimed
EP-0493506-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1992-07-08 EP claimed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP claimed
WO-1991004247-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1991-04-04 WO claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed