SCHEMBL9748601

SCHEMBL9748601

CC1(C)CC1C(=O)N/C(=C\CCCCCC(=N)N)C(=O)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
SCHEMBL9748605 1.00
SCHEMBL9748597 0.90
SCHEMBL10706487 0.88
SCHEMBL10706492 0.88
SCHEMBL2638616 0.86
SCHEMBL9747518 0.85
SCHEMBL9747532 0.85
SCHEMBL9747502 0.83
SCHEMBL9748765 0.83
SCHEMBL9747914 0.83

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147868-A For selectively inhibiting the metabolism of dipeptidase; useful in mixtures with bactericides MERCK & CO., INC. (US) 1992-09-15 US claimed
EP-0010573-B1 NOVEL Z-2-ACYLAMINO-3-MONOSUBSTITUTED PROPENIC ACIDS AND THEIR ESTERS AND SALTS, AND PROCESSES FOR PREPARING THEM MERCK & CO. INC. (US) 1983-10-19 EP disclosed
EP-0007614-B1 AN ANTIBACTERIAL COMPOSITION OF THIENAMYCIN-TYPE COMPOUND AND A DIPEPTIDASE INHIBITOR MERCK & CO. INC. (US) 1983-01-26 EP disclosed
EP-0048025-A1 Antibacterial composition of thienamycin type compound and a dipeptidase inhibitor MERCK & CO. INC. (US) 1982-03-24 EP disclosed
EP-0010573-A1 Novel Z-2-acylamino-3-monosubstituted propenic acids and their esters and salts, and processes for preparing them MERCK & CO. INC. (US) 1980-05-14 EP disclosed
EP-0007614-A1 An antibacterial composition of thienamycin-type compound and a dipeptidase inhibitor MERCK & CO. INC. (US) 1980-02-06 EP disclosed