SCHEMBL1647723

SCHEMBL1647723

COC1=CCC(C(C)(C)O)=CC1

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
SCHEMBL11202710 0.80
SCHEMBL8941730 0.76 CA1 (0.35)
SCHEMBL1145502 0.74
SCHEMBL12084338 0.71 LMNA (0.32)
SCHEMBL11807487 0.67
SCHEMBL1032152 0.66
SCHEMBL11801827 0.64
SCHEMBL7328006 0.61
SCHEMBL1031340 0.61
SCHEMBL17066828 0.60 PPARG (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0096480-B1 PREPARATION OF 6A, 10A-TRANS-HEXAHYDRODIBENZOPYRANONES ELI LILLY AND COMPANY (US) 1988-09-28 EP claimed
EP-0096480-A2 Preparation of 6a, 10a-trans-hexahydrodibenzopyranones ELI LILLY AND COMPANY (US) 1983-12-21 EP claimed
US-4148809-A Process for preparing dl-cis-1-hydroxy-3-substituted-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-ones ELI LILLY AND COMPANY (US) 1979-04-10 US claimed
US-4131614-A Process for preparing cis-hexahydrodibenzopyranones ELI LILLY AND COMPANY (US) 1978-12-26 US claimed
US-20210163387-A1 ONE-STEP FLOW-MEDIATED SYNTHESIS OF CANNABIDIOL (CBD) AND DERIVATIVES TRUSTEES OF BOSTON UNIVERSITY (US) 2021-06-03 US disclosed
US-10981850-B2 One-step flow-mediated synthesis of cannabidiol (CBD) and derivatives TRUSTEES OF BOSTON UNIVERSITY (US) 2021-04-20 US disclosed
US-20200325091-A1 ONE-STEP FLOW-MEDIATED SYNTHESIS OF CANNABIDIOL (CBD) AND DERIVATIVES TRUSTEES OF BOSTON UNIVERSITY (US) 2020-10-15 US disclosed
EP-2314580-B1 Method for producing synthetic cannabinoids HEALTH CONCEPT GMBH (DE) 2015-09-09 EP disclosed
CN-104479771-A Composition for inhibiting alcohol-based fuel for boilers from producing nitrogen oxides SHANXI WHARTON IND CO LTD 2015-04-01 CN disclosed
US-8258322-B2 Synthesis of hexahydrodibenzopyranones WATSON LABORATORIES, INC. (US) 2012-09-04 US disclosed
US-8258322-B2 Synthesis of hexahydrodibenzopyranones WATSON LABORATORIES, INC. (US) 2012-09-04 US disclosed
US-8258322-B2 Synthesis of hexahydrodibenzopyranones WATSON LABORATORIES, INC. (US) 2012-09-04 US disclosed
US-4171315-A Preparation of cis-hexahydrodibenzopyranones ELI LILLY AND COMPANY (US) 1979-10-16 US disclosed
US-4148809-A Process for preparing dl-cis-1-hydroxy-3-substituted-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-ones ELI LILLY AND COMPANY (US) 1979-04-10 US disclosed
US-4140701-A 2,6-Methano-2H-1-benzoxocins ELI LILLY AND COMPANY (US) 1979-02-20 US disclosed
US-4133816-A Preparation of cis-1-hydroxy-3-substituted-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-ones and intermediates therefor ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4131614-A Process for preparing cis-hexahydrodibenzopyranones ELI LILLY AND COMPANY (US) 1978-12-26 US disclosed
US-4054581-A Preparation of cis-1-hydroxy-3-substituted-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-ones and intermediates therefor ELI LILLY AND COMPANY (US) 1977-10-18 US disclosed
US-4054583-A Process for converting 2,7-dihydroxy-5-isopropylidene-9-substituted-2,6-methano-3,4,5,6-tetrahydro-2H-1-benzoxocin to trans-1-hydroxy-3-substituted-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo(b,d)pyran-9-one ELI LILLY AND COMPANY (US) 1977-10-18 US disclosed
US-4054582-A Process for converting cis-hexahydrodibenzo[b,d]pyran-9-ones to trans-hexahydrodibenzo[b,d]-pyran-9-ones ELI LILLY AND COMPANY (US) 1977-10-18 US disclosed