SCHEMBL997985

SCHEMBL997985

[C-]#[N+]c1ccc(Br)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
SCHEMBL13019607 0.92 ALDH1A1 (0.48)
SCHEMBL7862234 0.85 MAPT (0.52)
SCHEMBL8974493 0.72 NPC1 (0.41)
SCHEMBL18508 0.71
SCHEMBL822992 0.69 TRPA1 (0.43)
SCHEMBL998605 0.69
SCHEMBL5019004 0.69
SCHEMBL1106601 0.69
SCHEMBL112852 0.69
SCHEMBL1106564 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113956232-B Quinoline-bisindole compound and preparation method and application thereof 山东师范大学 2022-09-16 CN claimed
CN-114014838-A Compound and preparation method and application thereof 山东师范大学 2022-02-08 CN claimed
CN-113956232-A Quinoline-bisindole compound and preparation method and application thereof 山东师范大学 2022-01-21 CN claimed
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-11844272-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-12 US disclosed
US-20230365857-A1 ORGANIC MIXTURES AND APPLICATIONS THEREOF IN ORGANIC ELECTRONIC DEVICES Zhejiang Brilliant Optoelectronic Technology Co.,Ltd. (CN) 2023-11-16 US disclosed
US-20230363257-A1 ORGANIC MIXTURES AND APPLICATIONS THEREOF IN ORGANIC ELECTRONIC DEVICES Zhejiang Brilliant Optoelectronic Technology Co.,Ltd. (CN) 2023-11-09 US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2023-08-24 US disclosed
CN-113336759-B Bromodomain protein 4 small molecule inhibitor, preparation method and application thereof 中国药科大学 2022-12-06 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-7439383-B2 Sodium channel blockers UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-21 US disclosed
WO-2008121602-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-7390825-B1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-24 US disclosed
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-19 US disclosed
US-20080139806-A1 TRIAMINOPHOSPHINE LIGANDS FOR CARBON-NITROGEN AND CARBON-CARBON BOND FORMATION IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC.. 2008-06-12 US disclosed
US-7385058-B1 Triaminophosphine ligands for carbon-nitrogen and carbon-carbon bond formation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2008-06-10 US disclosed
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-11-15 US disclosed