SCHEMBL188995

SCHEMBL188995

CC(C)[C@@H]1C[C@@H](C#N)OC1=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
SCHEMBL8040296 1.00
SCHEMBL187735 1.00
SCHEMBL14360218 0.71 KMT2A (0.40)
SCHEMBL2738575 0.69
SCHEMBL24942357 0.68 SMN1; SMN2 (0.30)
SCHEMBL15080602 0.67
SCHEMBL12200371 0.65
SCHEMBL188431 0.65
SCHEMBL188282 0.65 SMN1; SMN2 (0.32)
SCHEMBL12921166 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310577-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS B.V. (NL) 2013-11-21 US disclosed
US-8563279-B2 Convergent synthesis of renin inhibitors and intermediates useful therein DSM IP ASSETS B.V. (NL) 2013-10-22 US disclosed
US-8563279-B2 Convergent synthesis of renin inhibitors and intermediates useful therein DSM IP ASSETS B.V. (NL) 2013-10-22 US disclosed
EP-2225200-B1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS BV (NL) 2013-10-16 EP disclosed
EP-2225200-B1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS BV (NL) 2013-10-16 EP disclosed
EP-2313386-B1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP ASSETS BV (NL) 2012-01-04 EP disclosed
US-20110244531-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-10-06 US disclosed
US-20110244531-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-10-06 US disclosed
EP-2313386-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP Assets B.V. (NL) 2011-04-27 EP disclosed
US-20110008852-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-01-13 US disclosed
US-20110008852-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-01-13 US disclosed
EP-2225200-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP Assets B.V. (NL) 2010-09-08 EP disclosed
WO-2010010165-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP ASSETS BV (NL) 2010-01-28 WO disclosed
WO-2010010165-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP ASSETS BV (NL) 2010-01-28 WO disclosed
WO-2009080773-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS B.V. (NL) 2009-07-02 WO disclosed
WO-2009080773-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS B.V. (NL) 2009-07-02 WO disclosed