SCHEMBL3069276

SCHEMBL3069276

[CH2]Sc1nccs1

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
SCHEMBL191350 0.78 FBP1 (1.00)
SCHEMBL28079135 0.74 FBP1 (0.80)
SCHEMBL9687296 0.74
SCHEMBL496215 0.74
SCHEMBL4195087 0.74
SCHEMBL27767524 0.74
SCHEMBL10762231 0.74
SCHEMBL7219050 0.73
SCHEMBL5248427 0.73
SCHEMBL1262343 0.72 FBP1 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US claimed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 WO claimed
EP-1140860-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-09-22 EP claimed
US-6593326-B1 Useful as anti-cancer agents; and processes for their manufacture and pharmaceutical compositions containing them are described. Apoptotic effect in a warm-blooded animal such as man. ASTRAZENECA AB (SE) 2003-07-15 US claimed
EP-1140860-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-10-10 EP claimed
WO-2000039101-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-07-06 WO claimed
US-5889058-A ANTITUMOR, ANTICANCER AGENT CELLTECH LIMITED (GB) 1999-03-30 US claimed
US-5714491-A ANTICANCER AND ANTITUMOR AGENT CELLTECH THERAPEUTICS LIMITED (GB) 1998-02-03 US claimed
EP-0188254-B1 CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-24 EP claimed
EP-0055465-B1 7-ACYLAMINOCEPHALOSPORANIC ACID DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-23 EP claimed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed
EP-0188254-A2 Cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-07-23 EP claimed
US-4438113-A 7-Acylaminocephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-20 US claimed
EP-0055465-A2 7-Acylaminocephalosporanic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-07 EP claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
JP-59084889-A None JP disclosed
US-3947413-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-03-30 US disclosed