SCHEMBL2836847

SCHEMBL2836847

[O]CCC1CCCCO1

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
SCHEMBL1356869 0.93
SCHEMBL4090573 0.86 EPHX1 (0.42)
SCHEMBL7811010 0.85
SCHEMBL8151949 0.85 EPHX1 (0.41)
SCHEMBL10923372 0.82 KMT2A (0.41)
SCHEMBL728160 0.80
SCHEMBL15822139 0.80 EPHX1 (0.48)
SCHEMBL3523999 0.79
SCHEMBL840266 0.78
SCHEMBL4507233 0.77 EPHX1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 US claimed
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 US claimed
EP-2734516-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Boehringer Ingelheim International GmbH (DE) 2014-05-28 EP claimed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US claimed
WO-2013012844-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 WO claimed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US claimed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US claimed
EP-0923562-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 1999-06-23 EP claimed
WO-1998006706-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-19 WO claimed
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-25 US disclosed
US-20240025910-A1 BRAIN-MIGRATING TUMOR THERAPEUTIC AGENT CONTAINING FUSED PYRIMIDINE COMPOUND AS ACTIVE INGREDIENT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-01-25 US disclosed
EP-4298092-A1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-01-03 EP disclosed
CN-116829550-A Pyrimidine-2-ylsulfonamide derivatives 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
WO-2005026156-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
WO-2005026150-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed