SCHEMBL649338

SCHEMBL649338

CC1=C(CCO)C2CCC1C2

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
SCHEMBL2011374 0.75
SCHEMBL15842302 0.73
SCHEMBL1496244 0.69
SCHEMBL483325 0.69
SCHEMBL1758886 0.68
SCHEMBL2827634 0.68
SCHEMBL15842162 0.67
SCHEMBL15851437 0.67
SCHEMBL647350 0.66
SCHEMBL648131 0.66

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 9 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