SCHEMBL2539729

SCHEMBL2539729

CCC(C)OC(=O)C[O]

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
SCHEMBL2982775 0.82 — —
SCHEMBL2984973 0.82 — —
SCHEMBL645070 0.82 CA12 (0.45) —
SCHEMBL241530 0.82 FAAH (0.43) —
SCHEMBL1585397 0.82 — —
SCHEMBL6734553 0.81 LMNA (0.41) —
SCHEMBL5439857 0.80 — —
SCHEMBL17860726 0.79 LMNA (0.39) —
SCHEMBL2988925 0.78 MMP1 (0.52) —
SCHEMBL8382943 0.78 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 — — US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 — — US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 — — US disclosed
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 — — US disclosed
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 — — EP disclosed
US-20070254247-A1 Radiation-sensitive resin composition YAMAMOTO MASAFUMI 2007-11-01 — — US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 — — US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 — — US disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 — — EP disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 — — EP disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 — — EP disclosed
EP-0789279-B1 Polymer and resist material WAKO PURE CHEM IND LTD (JP) 2001-03-21 — — EP disclosed
WO-2000042015-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 — — WO disclosed
US-6033826-A POLYHYDROXYSTYRENE DERIVATIVE CONTAINING AN ACETAL OR KETAL GROUP WHICH CAN EASILY BE ELIMINATED IN THE PRESENCE OF AN ACID IN THE MOLECULE AND HAVING A VERY NARROW MOLECULAR WEIGHT DISTRIBUTION GIVES A RESIST MATERIAL WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 — — US disclosed
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 — — WO disclosed
EP-0789279-A1 Polymer and resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1997-08-13 — — EP disclosed
US-5399577-A Lipoxygenase and cyclooxygenase inhibitor, antiasthma, antiinflammatory TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-03-21 — — US disclosed
EP-0633254-A1 NOVEL ISOXAZOLE DERIVATIVE AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-01-11 — — EP disclosed
US-5262385-A Pyrimidine ring containing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-16 — — US disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 — — EP disclosed
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