SCHEMBL11218521

SCHEMBL11218521

NCC1=C(C[C]=O)CCCC1

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
SCHEMBL3673036 0.79
SCHEMBL11516468 0.76
SCHEMBL3667302 0.76 ALDH1A1 (0.32)
Hydrochloric Acid SCHEMBL9004738 0.76
SCHEMBL11352266 0.76 ALDH1A1 (0.32)
SCHEMBL3667301 0.76 ALDH1A1 (0.32)
SCHEMBL3675466 0.73
Hydrochloric Acid SCHEMBL9004739 0.70 RAD52 (0.33)
SCHEMBL11308782 0.70
SCHEMBL21891345 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323676-A Process for preparing cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 US disclosed
US-4308381-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-29 US disclosed
US-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 US disclosed
US-4248868-A FOR TREATING SYSTEMIC INFECTIONS BY GRAMPOSITIVE AND GRAM NEGATIVE BACTERIA CIBA-GEIGY CORPORATION (US) 1981-02-03 US disclosed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 US disclosed
US-4224441-A Derivatives of 7-aminocephalosporanic acid TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-09-23 US disclosed
US-4172199-A ISOOXACEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1979-10-23 US disclosed
US-4171439-A Antibacterial analogs of isocephalosporins BRISTOL-MYERS COMPANY (US) 1979-10-16 US disclosed
US-4171438-A 0-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1979-10-16 US disclosed
US-4166905-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 US disclosed
US-4068078-A ANTIBIOTICS BRISTOL-MYERS CORPORATION (US) 1978-01-10 US disclosed
US-4068075-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-10 US disclosed
US-4068080-A BETA-LACTAM ANTIBIOTICS, CEPHALOSPORIN ANALOGS BRISTOL-MYERS COMPANY (US) 1978-01-10 US disclosed
US-4066832-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-03 US disclosed
US-4066831-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-03 US disclosed
US-4065623-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4065622-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4013648-A BETA-LACTAM ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1977-03-22 US disclosed
US-4012383-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-15 US disclosed
US-4011216-A Δ2,3-0-2-Isocephem-4-carboxylic acid and derivatives thereof as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-03-08 US disclosed