SCHEMBL195750

SCHEMBL195750

CC(C)C(=O)CCO

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
SCHEMBL620412 0.83 CA1 (0.36)
SCHEMBL2532886 0.82
SCHEMBL2528919 0.80 GPR84 (0.46)
SCHEMBL9475366 0.79
SCHEMBL18269439 0.78 GPR84 (0.50)
SCHEMBL2528854 0.78 GPR84 (0.50)
SCHEMBL25834870 0.78 GPR84 (0.50)
SCHEMBL7582371 0.78 GPR84 (0.50)
SCHEMBL25834774 0.78 GPR84 (0.50)
SCHEMBL9947521 0.78 GPR84 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
WO-2004046153-A1 PRODRUG ESTERS OF CEFTRIAXONE RANBAXY LABORATORIES LIMITED (IN) 2004-06-03 WO claimed
US-12473295-B2 Substituted straight chain spiro derivatives JANSSEN PHARMACEUTICA NV (BE) 2025-11-18 US disclosed
US-20250333421-A1 PYRIDAZINES OR 1,2,4-TRIAZINES SUBSTITUTED BY SPIROCYCLIC AMINES JANSSEN PHARMACEUTICA NV (BE) 2025-10-30 US disclosed
CN-118344372-A Substituted straight-chain spiro derivatives 詹森药业有限公司 2024-07-16 CN disclosed
CN-118255773-A Substituted straight-chain spiro derivatives 詹森药业有限公司 2024-06-28 CN disclosed
CN-118255774-A Substituted straight-chain spiro derivatives 詹森药业有限公司 2024-06-28 CN disclosed
EP-4347600-A1 PYRIDAZINES OR 1,2,4-TRIAZINES SUBSTITUTED BY SPIROCYCLIC AMINES JANSSEN Pharmaceutica NV (BE) 2024-04-10 EP disclosed
CN-117425659-A Pyridazine or 1,2, 4-triazines substituted by spirocyclic amines 詹森药业有限公司 2024-01-19 CN disclosed
US-11718758-B2 Aqueous dispersion of colored particles MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
US-20050107334-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. 2005-05-19 US disclosed
WO-2005019163-A2 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2005-03-03 WO disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
EP-0521650-B1 Working fluid composition for use in refrigeration system KAO CORP (JP) 1997-08-13 EP disclosed
US-5401433-A Base oils with ketone groups for use with hydrofluorocarbons, air conditioners KAO CORPORATION (JP) 1995-03-28 US disclosed
US-5300245-A Mixed with hydrofluorocarbons KAO CORPORATION (JP) 1994-04-05 US disclosed
EP-0521650-A1 Working fluid composition for use in refrigeration system Kao Corporation (JP) 1993-01-07 EP disclosed
EP-0426436-A2 Preparation of ketone containing photodegradable polymers THE DOW CHEMICAL COMPANY (US) 1991-05-08 EP disclosed