SCHEMBL128784

SCHEMBL128784

[CH2]C(CC)(CC)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
SCHEMBL128662 0.75
SCHEMBL6178790 0.73
SCHEMBL128220 0.73 ALDH1A1 (0.35)
SCHEMBL8777502 0.73
SCHEMBL4149840 0.73
SCHEMBL8777495 0.71
SCHEMBL131019 0.69 DGAT1 (0.36)
SCHEMBL127809 0.69 CES1 (0.41)
SCHEMBL173322 0.67 FFAR3 (0.41)
SCHEMBL9147483 0.67 FFAR3 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464623-B1 THE RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2020-11-04 EP disclosed
US-8779198-B2 Ring opening of lactones and lactams NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8680079-B2 Tetrahydro-imidazo [1,5-A] pyridyin derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-03-25 US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1689702-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-30 EP disclosed
CN-101415716-B Condensed imidazole derivatives as aldosterone synthase inhibitors SPEEDEL EXPERIMENTA AG 2012-12-12 CN disclosed
US-8324235-B2 Heterocyclic spiro-compounds NOVARTIS AG (CH) 2012-12-04 US disclosed
CN-102686556-A Opening of lactones and lactams NOVARTIS AG 2012-09-19 CN disclosed
US-8263615-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
CN-101421279-B Imidazo compounds SPEEDEL EXPERIMENTA AG 2012-08-15 CN disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP disclosed
CN-1117960-A Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides CIBA GEIGY AG (CH) 1996-03-06 CN disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed