SCHEMBL6322210

SCHEMBL6322210

COC1=CC=CC(Br)(OC)C1

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
SCHEMBL28951136 0.78
SCHEMBL28494991 0.76
SCHEMBL30721508 0.76
SCHEMBL28711085 0.73
SCHEMBL1122230 0.73
SCHEMBL4207817 0.73
SCHEMBL12282146 0.72
SCHEMBL3419721 0.72
SCHEMBL1735727 0.72
SCHEMBL16010389 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218225-A The preparation method of ligand, nickel complex and polyolefin compound 中国科学技术大学 2019-09-10 CN disclosed
US-20050239874-A1 Novel analgesic and immunomodulatory cannabinoids UNIVERSITY OF CONNECTICUT (US) 2005-10-27 US disclosed
US-6939977-B2 Analgesic and immunomodulatory cannabinoids THE UNIVERSITY OF CONNECTICUT (US) 2005-09-06 US disclosed
EP-1075470-B1 NOVEL ANALGESIC AND IMMUNOMODULATORY CANNABINOIDS UNIV CONNECTICUT (US) 2003-08-13 EP disclosed
US-20030120094-A1 For improved binding of CB1/CB2 receptors; side effects reduction NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-26 US disclosed
US-20010009965-A1 NOVEL ANALGESIC AND IMMUNOMODULATORY CANNABINOIDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2001-07-26 US disclosed
EP-0041682-B1 A METHOD OF PREPARING POLY-SUBSTITUTED ACYLBENZENES HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-09-21 EP disclosed
EP-0041682-A1 A method of preparing poly-substituted acylbenzenes HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1981-12-16 EP disclosed