SCHEMBL172804

SCHEMBL172804

Cc1cc(F)ccc1O

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
SCHEMBL38659698 1.00
SCHEMBL29994946 1.00
SCHEMBL27493825 0.97 TP53 (0.54)
Dimethylamine SCHEMBL27789403 0.93 ESR1 (0.50)
Ethylamine SCHEMBL29279210 0.89 ESR1 (0.48)
SCHEMBL20565076 0.83
SCHEMBL27434003 0.82 TP53 (0.41)
SCHEMBL1513516 0.81 HSD17B1 (0.60)
SCHEMBL30755529 0.79
SCHEMBL129788 0.79

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 1156 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 CN claimed
CN-111825531-B Preparation method of 2-bromo-4-fluoro-6-methylphenol 大连奇凯医药科技有限公司 2022-07-12 CN claimed
CN-111825531-A Preparation method of 2-bromo-4-fluoro-6-methylphenol 大连奇凯医药科技有限公司 2020-10-27 CN claimed
CN-110872212-A Preparation method of 2-bromo-4-fluoro-6-methylphenol 大连中汇达科学仪器有限公司 2020-03-10 CN claimed
JP-4820518-B2 2011-11-24 JP claimed
US-20100168243-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-07-01 US claimed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US claimed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US claimed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP claimed
WO-2008156831-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO claimed
CN-1506347-A Fluoridized benzaldehyde ˹���ػ�ѧ��Ʒ�ɷ����޹�˾ 2004-06-23 CN claimed
EP-1428814-A1 Fluorine containing benzaldehydes Bayer Chemicals AG (DE) 2004-06-16 EP claimed
WO-2003087084-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 WO claimed
JP-2003530318-A 2003-10-14 JP claimed
EP-1257537-A4 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS KINACIA PTY LTD (AU) 2003-04-23 EP claimed
EP-1257537-A1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS Kinacia Pty Ltd (AU) 2002-11-20 EP claimed
WO-2001053266-A1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS KINACIA PTY LTD. (AU) 2001-07-26 WO claimed
EP-0307777-B1 2-METHYL-4-FLUORO-PHENOLS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1993-01-07 EP claimed
US-4885388-A CHEMICAL INTERMEDIATES FOR THE PREPARATION OF HERBICIDES AND PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1989-12-05 US claimed
EP-0307777-A2 2-Methyl-4-fluoro-phenols and process for their preparation BAYER AG (DE) 1989-03-22 EP claimed