SCHEMBL805491

SCHEMBL805491

CCc1ccnc(C)n1

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
SCHEMBL30481675 1.00
SCHEMBL805512 0.82 KDM4E (0.42)
SCHEMBL6627227 0.79
SCHEMBL2751433 0.79
SCHEMBL7995607 0.79
SCHEMBL13178561 0.79
SCHEMBL12153420 0.79
SCHEMBL29525661 0.79
SCHEMBL18072486 0.79 KCNH2 (0.47)
Hydrochloric Acid SCHEMBL14759411 0.77 LOXL2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103022556-A Lithium-ion battery and electrolyte thereof NINGDE AMPEREX TECHNOLOGY LTD 2013-04-03 CN claimed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
WO-2024138206-A1 FLUOROPYRIDOPYRIMIDINE AND FLUOROQUINAZOLINE DERIVATIES AND METHODS OF USE THEREOF FRONTIER MEDICINES CORPORATION (US) 2024-06-27 WO disclosed
WO-2024073587-A1 N-ACRYLOYLMORPHOLINE DERIVATIVES AS KEAP1 MODULATORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
US-20230322754-A1 IRAK INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-10-12 US disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
US-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles BAYER CROP SCIENCE AG (DE) 2011-08-04 US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2010-06-24 US disclosed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
EP-1431285-B1 REVERSE HYDROXAMIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2009-01-07 EP disclosed
EP-0102542-B1 1,2,4,6-THIATRIAZIN-1,1-DIOXIDE ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-07-04 EP disclosed
US-4585472-A PRE- AND POSTEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1986-04-29 US disclosed
EP-0102542-A2 1,2,4,6-Thiatriazin-1,1-dioxide ethers, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1984-03-14 EP disclosed