SCHEMBL20688

SCHEMBL20688

[CH2]CCC(C)(F)F

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
SCHEMBL21673 0.80
SCHEMBL987028 0.79
SCHEMBL5980452 0.78
SCHEMBL83938 0.76
SCHEMBL11254584 0.76 LPAR1 (0.32)
SCHEMBL11256159 0.76 LPAR1 (0.32)
SCHEMBL7754994 0.76 LPAR1 (0.32)
SCHEMBL7754216 0.76 LPAR1 (0.32)
SCHEMBL7754687 0.76 LPAR1 (0.32)
SCHEMBL15404062 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US claimed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US claimed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 US claimed
US-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US claimed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US claimed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US claimed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US claimed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP claimed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US claimed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 WO claimed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 US claimed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 US claimed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO claimed
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP claimed
US-7164011-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-01-16 US claimed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO claimed
CN-113382996-B Theophylline derivatives with nematicidal activity, agronomic compositions and related uses 高文作物保护公司 2024-07-16 CN disclosed
US-3933898-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed