SCHEMBL457053

SCHEMBL457053

C=C[C](Br)Br

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
SCHEMBL527599 0.74
SCHEMBL317238 0.74
SCHEMBL14650809 0.70
SCHEMBL16211193 0.70
SCHEMBL830469 0.70
SCHEMBL19706753 0.70
SCHEMBL1478867 0.70
SCHEMBL2294948 0.68
SCHEMBL30891535 0.68
SCHEMBL14207291 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869506-A APPLYING TO ACARIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-09 US claimed
US-11840540-B2 Dimers of covalent NFKB inhibitors BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2023-12-12 US disclosed
US-20220009941-A1 Dimers of Covalent NFKB Inhibitors BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2022-01-13 US disclosed
EP-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 EP disclosed
US-20190002429-A1 Derivatives of Xanthone Compounds SINGAPORE HEALTH SERVICES PTE LTD (SG) 2019-01-03 US disclosed
US-9505716-B2 Pyrrolidine triple reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2016-11-29 US disclosed
US-20160115123-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2016-04-28 US disclosed
EP-2974724-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS Sunovion Pharmaceuticals Inc. (US) 2016-01-20 EP disclosed
EP-2393357-B1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
US-9056830-B2 Pyrrolidine triple reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-06-16 US disclosed
EP-1283839-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-02-19 EP disclosed
US-6440903-B1 Substituted 2,4-diamino-1,3,5-triazines as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
US-20020099061-A1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. 2002-07-25 US disclosed
US-6403794-B2 REACTING A BIGUANIDINE WITH AN ALKOXYCARBONYL, OR A SUBSTITUTED TRIAZINE WITH AMMONIA OR AN ALKYLAMINE BAYER AKTIENGESELLSCHAFT (DE) 2002-06-11 US disclosed
US-6348435-B1 Substituted 2,4-diamino-1,3,5-triazine and their use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2002-02-19 US disclosed
US-6346503-B1 PRE- AND POSTEMERGENCE HERBICIDES FOR CROPS LIKE CORN, WHEAT, AND COTTON BAYER AKTIENGESELLSCHAFT (DE) 2002-02-12 US disclosed
US-20020016459-A1 Substituted 2-amino-4-alkylamino-1,3,5-triazines as herbicides RIEBEL HANS-JOCHEM (DE) 2002-02-07 US disclosed
WO-2001092264-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2001-12-06 WO disclosed
US-6284710-B1 CONTROLLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
US-6271178-B1 APPLYING TO PLANTS; CONTROLLING WEEDS BAYER AG (DE) 2001-08-07 US disclosed