SCHEMBL42894

SCHEMBL42894

CC(C)(O)C(C)(C)OB(O)c1ccc(N)cc1F

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
SCHEMBL1806496 0.84 CES2 (0.31)
SCHEMBL17112788 0.83 ESR1 (0.33)
SCHEMBL9937802 0.81
SCHEMBL29278211 0.80 ALDH1A1 (0.34)
SCHEMBL1921500 0.80 CASP1 (0.38)
SCHEMBL18917390 0.80
SCHEMBL12491413 0.79 CYP4F2 (0.36)
SCHEMBL16720954 0.78 NR3C1 (0.35)
SCHEMBL29631566 0.74 ALDH1A1 (0.40)
SCHEMBL1702676 0.74 ALDH1A1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176923-A Three-dimensional covalent organic framework single crystal material with acs topology and preparation method thereof 吉林大学 2024-12-24 CN claimed
CN-117402383-A Fiber reinforced composite plastic and preparation method thereof 慈溪市跃隆五金塑料有限公司 2024-01-16 CN claimed
US-12612372-B2 Oxopyridazinyl-phenyl-carbonohydrazonoyl dicyanide compound and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-04-28 US disclosed
US-12600728-B2 Interleukin-17 inhibitors NOVARTIS AG (CH) 2026-04-14 US disclosed
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 US disclosed
EP-3774797-B1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2025-11-19 EP disclosed
EP-4634184-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY Crossfire Oncology Holding B.V. (NL) 2025-10-22 EP disclosed
US-20250243196-A1 CITRON KINASE INHIBITORS THE CLEVELAND CLINIC FOUNDATION 2025-07-31 US disclosed
WO-2025021148-A1 WRN INHIBITOR, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 贝达药业股份有限公司 2025-01-30 WO disclosed
CN-113727972-B Novel hydrazone derivatives having terminal amine groups substituted with aryl or heteroaryl groups and use thereof 韩国科学技术研究院 2024-12-27 CN disclosed
CN-119176923-A Three-dimensional covalent organic framework single crystal material with acs topology and preparation method thereof 吉林大学 2024-12-24 CN disclosed
WO-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US disclosed
EP-2411368-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-02-01 EP disclosed
WO-2012000970-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-01-05 WO disclosed
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 WO disclosed
EP-2307401-A2 ANTINEOPLASTIC DERIVATIVES OF 4-OXO-1,4-DIHYDRO-QUINOLINE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-04-13 EP disclosed
WO-2010109122-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2010004198-A2 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 WO disclosed