SCHEMBL2068446

SCHEMBL2068446

S=[C]OC1CCCCC1

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
SCHEMBL10471494 0.97
SCHEMBL5384136 0.91
SCHEMBL5398337 0.84
SCHEMBL3257132 0.71 CA1 (0.32)
SCHEMBL93454 0.71 CA1 (0.39)
SCHEMBL22721980 0.71 CTSL (0.34)
SCHEMBL9431 0.71
SCHEMBL538591 0.71
SCHEMBL302897 0.71 CA1 (0.39)
SCHEMBL2108202 0.71 CA1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2095875-B1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO PERFUMERY CO LTD (JP) 2014-10-01 EP disclosed
EP-1911516-B1 HOMOGENEOUS ASYMMETRIC HYDROGENATION PROCESS TAKASAGO PERFUMERY CO LTD (JP) 2014-05-14 EP disclosed
EP-2392400-B1 Homogeneous asymmetric hydrogenation method TAKASAGO PERFUMERY CO LTD (JP) 2014-05-07 EP disclosed
US-8586498-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-19 US disclosed
US-8497400-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-30 US disclosed
US-8481791-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
EP-2392400-A2 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2011-12-07 EP disclosed
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-17 US disclosed
US-7902110-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-03 US disclosed
EP-2095875-A1 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2009-09-02 EP disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 US disclosed
EP-1911516-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2008-04-16 EP disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 US disclosed
US-4385178-A REACTION OF A CEPHALOSPORANIC ACID WITH A THIOL COMPOUND IN THE PRESENCE OF BORON TRIFLUORIDE TOYAMA CHEMICAL CO., LTD. (JP) 1983-05-24 US disclosed
US-4317907-A ANHYDROUS CONDITIONS IN THE PRESENCE OF BOREN TRIFLUORIDE OR ONE OF ITS COMPLEXES TOYAMA CHEMICAL CO., LTD. (JP) 1982-03-02 US disclosed
US-4312986-A REACTION OF CORRESPONDING ESTER OR CARBAMATE WITH MERCAPTO COMPOUND TOYAMA CHEMICAL CO., LTD. (JP) 1982-01-26 US disclosed