SCHEMBL3729631

SCHEMBL3729631

[CH2]Sc1nnc(C)s1

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
SCHEMBL3791857 0.78 GAA (0.48)
SCHEMBL3729632 0.76
SCHEMBL19884346 0.74
SCHEMBL27317175 0.74
SCHEMBL20177132 0.72
SCHEMBL13240158 0.72 GAA (0.59)
SCHEMBL10914515 0.72 GAA (0.44)
SCHEMBL10768926 0.70 GAA (0.43)
SCHEMBL7812310 0.70 GAA (0.52)
SCHEMBL5962495 0.70 GAA (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004101572-A1 7-GLUTARYL IMIDE CEPHALOSPORANIC ACID DERIVATIVES AND PROCESS FOR PREPARING IT CKD BIO CORPORATION (KR) 2004-11-25 WO claimed
US-6420554-B1 REACTION OF BETA LACTAM WITH PHOSPHOROUS HALIDE IN THE PRESENCE OF BASE, ADDING PHENOL, REACTION WITH ALCOHOL AND REMOVAL OF ESTER OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2002-07-16 US claimed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US claimed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US claimed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP claimed
EP-0168327-B1 CEPHALOSPORIN COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1992-09-23 EP claimed
EP-0137534-B1 ONE-POT PROCESS FOR PREPARATION OF 7BETA-AMINO- AND 7BETA-ACYLAMINO- 3-SUBSTITUTED METHYL-3-CEPHEM-4-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR DEOXYGENATION OF 7BETA-ACYLAMINO-3-CEPHEM-4-CARBOXYLIC ACID 1-OXIDE DERIVATIVES GIST-BROCADES N.V. (NL) 1990-05-16 EP claimed
US-4729991-A SUBSTITUTED BY HETEROCYCLIC THIOMETHYL GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-08 US claimed
EP-0108942-B1 CEPHALOSPORIN DERIVATIVES, METHODS OF PRODUCTION THEREOF AND PROPHYLACTIC AND THERAPEUTIC AGENTS FOR BACTERIAL INFECTION KYOTO PHARMA IND (JP) 1988-03-02 EP claimed
US-4695627-A PHOSPHORUS PENTACHLORIDE, OLEFIN GIST-BROCADES N.V. (NL) 1987-09-22 US claimed
US-4324890-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-04-13 US claimed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US claimed
US-4287193-A ANTIBIOTIC DERIVATIVES OF CEPHALOSPORANIC ACID ROUSSEL UCLAF (FR) 1981-09-01 US claimed
US-4267176-A Amino or acylamino-substituted pyrimidinyl cephalosporanic acid derivatives and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4200747-A 7-2-Indolyl acetamido cephalosporin derivatives YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1980-04-29 US claimed
US-4115646-A Process for preparing 7-aminocephalosporanic acid derivatives BEECHAM GROUP LIMITED (GB) 1978-09-19 US claimed
US-4081595-A REDUCING AGENTS SHIONOGI & CO., LTD. (JA) 1978-03-28 US claimed
US-4068071-A DISULFIDING, SOLVOLYSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-01-10 US claimed
US-4068072-A CHLORINATION OR BROMINATION, SOLVOLYSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-01-10 US claimed
US-4051320-A PROCESS FOR PREPARING ALKOXYLATED DERIVATIVES OF CEPHALOSPORIN COMPOUNDS SANKYO COMPANY LIMITED (JA) 1977-09-27 US claimed