SCHEMBL647308

SCHEMBL647308

C=C1[C@@H]2CC[C@@H](C2)[C@@H]1C

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
SCHEMBL541794 1.00
SCHEMBL6561654 1.00
SCHEMBL6561954 1.00
SCHEMBL8996625 0.84
SCHEMBL8149518 0.81
SCHEMBL11827323 0.78
SCHEMBL1928623 0.70
SCHEMBL12966709 0.64 ALDH1A1 (0.32)
SCHEMBL19328286 0.62
SCHEMBL14954817 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119826-B2 Process for the preparation of beta-santalol and derivatives thereof FIRMENICH SA (CH) 2012-02-21 US disclosed
EP-2386537-A2 Intermediates for the preparation of beta-santalol and derivatives thereof FIRMENICH SA (CH) 2011-11-16 EP disclosed
US-20110254473-A1 ARRANGEMENT AND METHOD FOR CONTROLLING FREQUENCY CONVERTER MODULES ABB OY (FI) 2011-10-20 US disclosed
EP-2282985-B1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF FIRMENICH & CIE (CH) 2011-10-05 EP disclosed
US-20110118497-A1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF FIRMENICH SA 2011-05-19 US disclosed
US-7902393-B2 Process for the preparation of β-santalol and derivatives thereof FIRMENICH SA (CH) 2011-03-08 US disclosed
EP-2282985-A1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF Firmenich SA (CH) 2011-02-16 EP disclosed
US-20110028750-A1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF FIRMENICH SA (CH) 2011-02-03 US disclosed
WO-2009141781-A1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF FIRMENICH SA (CH) 2009-11-26 WO disclosed
EP-0968987-B1 Derivatives of bicyclo[2.2.1]heptane, method for their production, and traction fluid IDEMITSU KOSAN CO (JP) 2004-02-04 EP disclosed
US-20020072476-A1 E.g. Exo-2-methyl-exo-3-methyl-endo-2-((endo-3-methylbicyclo -(2.2.1)hepto-exo-2-yl)methyl)bicyclo(2.2.1)heptane; high traction coefficient at high temperature; low viscosity at low temperature; continuously variable transmission; autos IDEMITSU KOSAN CO., LTD. 2002-06-13 US disclosed
US-6319879-B1 IN AUTOMOBILES, AS LUBRICANT IDEMITSU KOSAN CO., LTD. (JP) 2001-11-20 US disclosed
EP-0968987-A1 Derivatives of bicyclo[2.2.1]heptane, method for their production, and traction fluid Idemitsu Kosan Co., Ltd. (JP) 2000-01-05 EP disclosed