SCHEMBL4530371

SCHEMBL4530371

CCCC([C]=O)C(C)C

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
SCHEMBL214294 0.80 MAPT (0.42)
SCHEMBL270567 0.77
SCHEMBL12475358 0.74
SCHEMBL364354 0.72
SCHEMBL10493698 0.72
SCHEMBL8012278 0.72 CA1 (0.36)
SCHEMBL8996417 0.72 LMNA (0.40)
SCHEMBL271616 0.71
SCHEMBL8130582 0.69 ALDH1A1 (0.32)
SCHEMBL6602279 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410881-B1 Semisynthetic ganglioside analogues FIDIA SPA (IT) 1997-09-17 EP claimed
EP-0410881-A2 Semisynthetic ganglioside analogues FIDIA S.p.A. (IT) 1991-01-30 EP claimed
EP-2457593-A1 Cyclic RGD peptides of amino acids based on thiazoles or oxazoles as selective antagonists of the alpha-v beta-3 integrin Lykera Biomed S.A. (ES) 2012-05-30 EP disclosed
WO-2012062777-A1 CYCLIC RGD PEPTIDES OF AMINO ACIDS BASED ON THIAZOLES OR OXAZOLES AS SELECTIVE ANTAGONISTS OF THE ALFA ανβ3 INTEGRIN LYKERA BIOMED SA (ES) 2012-05-18 WO disclosed
CN-101065351-A Carboxamides and their use GIVAUDAN SA (CH) 2007-10-31 CN disclosed
EP-0410881-B1 Semisynthetic ganglioside analogues FIDIA SPA (IT) 1997-09-17 EP disclosed
US-5484775-A FOR INHIBITING GLUTAMATE-INDUCED NEUROTOXICITY FIDIA S.P.A. (IT) 1996-01-16 US disclosed
EP-0410881-A2 Semisynthetic ganglioside analogues FIDIA S.p.A. (IT) 1991-01-30 EP disclosed
US-4804742-A OSTEOPOROSIS TREATMENT OF EXTENDED DURATION RORER PHARMACEUTICAL CORPORATION (US) 1989-02-14 US disclosed
EP-0249096-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed
US-4650854-A OSTEOPOROSIS USV PHARMACEUTICAL CORPORATION (US) 1987-03-17 US disclosed