SCHEMBL585661

SCHEMBL585661

C1=Cc2c3c(ccc2=N1)=CC=N3

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
SCHEMBL2045014 0.73
SCHEMBL8121239 0.71
SCHEMBL2050390 0.63
SCHEMBL7350093 0.62
SCHEMBL11985519 0.61
SCHEMBL3122958 0.60
SCHEMBL6210725 0.59
SCHEMBL819715 0.58
SCHEMBL6097249 0.57
SCHEMBL6645893 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684700-A Silyl substituted pyrroloindole derivative and synthetic method and application thereof 赣南医科大学 2024-09-24 CN claimed
EP-4147283-A1 LAYER SYSTEM FOR AN ORGANIC ELECTRONIC COMPONENT Heliatek GmbH (DE) 2023-03-15 EP claimed
US-11542481-B2 Morphinan N-demethylase isolated from the methylobacterium thebainfresser and methods of use thereof DONALD DANFORTH PLANT SCIENCE CENTER (US) 2023-01-03 US claimed
WO-2021223814-A1 LAYER SYSTEM FOR AN ORGANIC ELECTRONIC COMPONENT HELIATEK GMBH (DE) 2021-11-11 WO claimed
CN-112724151-A Pyrroloindole compound and preparation method and application thereof 闫仲芬 2021-04-30 CN claimed
US-10950811-B2 Optoelectronic component HELIATEK GMBH (DE) 2021-03-16 US claimed
CN-109180691-B C3-aromatic pyrroloindole alkaloid and synthetic method thereof 武汉大学 2020-07-10 CN claimed
CN-107868087-B Method for preparing pyrroloindole derivatives 浙江大学 2020-03-24 CN claimed
US-20190352618-A1 MORPHINAN N-DEMETHYLASE ISOLATED FROM THE METHYLOBACTERIUM THEBAINFRESSER AND METHODS OF USE THEREOF DONALD DANFORTH PLANT SCIENCE CENTER 2019-11-21 US claimed
WO-2018136654-A1 MORPHINAN N-DEMETHYLASE ISOLATED FROM THE METHYLOBACTERIUM THEBAINFRESSER AND METHODS OF USE THEREOF DONALD DANFORTH PLANT SCIENCE CENTER (US) 2018-07-26 WO claimed
EP-1505971-A2 ADMINISTRATION OF ACETYLCHOLINESTERASE INHIBITORS TO THE CEREBRAL SPINAL FLUID Nastech Pharmaceutical Company Inc. (US) 2005-02-16 EP claimed
EP-0972775-B1 PYRROLOINDOLE DERIVATIVES AND INTERMEDIATES IN PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-12-08 EP claimed
WO-2004002402-A2 ADMINISTRATION OF ACETYLCHOLINESTERASE INHIBITORS TO THE CEREBRAL SPINAL FLUID NASTECH PHARMACEUTICAL COMPANY INC. (US) 2004-01-08 WO claimed
US-20030225031-A1 Administration of acetylcholinesterase inhibitors to the cerebral spinal fluid NASTECH PHARMACEUTICAL COMPANY INC. 2003-12-04 US claimed
EP-0937726-B1 INTERMEDIATES FOR THE PREPARATION OF DUOCARMYCIN SA AND DERIVATIVES THEREOF, AND PROCESS FOR THE PRODUCTION OF THE INTERMEDIATES KYORIN SEIYAKU KK (JP) 2003-03-12 EP claimed
US-6492346-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH PHARMACEUTICALS, INC. 2002-12-10 US claimed
US-6080859-A 1-CHLOROMETHYL, 3-((HETEROARYL OR ARYL)CARBONYL), 5-(HETEROCYCLE-AMINOCARBONYLOXY),7-TRIFLUOROMETHYL, 8-ALKOXYCARBONYL-1,2,3,6-TETRAHYDROPYRROLO(3,2-E)INDOLE OF GIVEN STRUCTURE; ANTITUMOR AND ANTIMICROBIAL ACTIVITY KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US claimed
US-6066742-A Intermediates for the preparation of duocarmycin SA and derivatives thereof, and process for the production of the intermediates KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-05-23 US claimed
EP-0972775-A1 PYRROLOINDOLE DERIVATIVES AND INTERMEDIATES IN PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-01-19 EP claimed
EP-0937726-A1 INTERMEDIATES FOR THE PREPARATION OF DUOCARMYCIN SA AND DERIVATIVES THEREOF, AND PROCESS FOR THE PRODUCTION OF THE INTERMEDIATES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1999-08-25 EP claimed