SCHEMBL3343472

SCHEMBL3343472

C1=C(C2=CCCC2)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
SCHEMBL28649782 1.00
SCHEMBL604266 0.93 TYMP (0.40)
SCHEMBL15048839 0.93 TYMP (0.40)
SCHEMBL2427492 0.90 TYMP (0.39)
SCHEMBL11174869 0.88 TYMP (0.38)
SCHEMBL11174866 0.88 TYMP (0.38)
SCHEMBL1109730 0.87 TYMP (0.41)
SCHEMBL5960583 0.84 TYMP (0.39)
SCHEMBL5136081 0.84
SCHEMBL296554 0.83 TYMP (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280402-B1 TOLAN COMPOUNDS FOR PROMOTING WOUND HEALING BIOMENDICS LLC (US) 2024-06-05 EP disclosed
CN-114829556-A Polymeric surfactant compounds 路博润公司 2022-07-29 CN disclosed
CN-110269856-A Inhibitor of the polysubstituted aromatic compounds as fibrin ferment 维颂公司 2019-09-24 CN disclosed
US-20190248781-A1 COMPOSITIONS OF KINASE INHIBITORS AND THEIR USE FOR TREATMENT OF CANCER AND OTHER DISEASES RELATED TO KINASES BOSTON BIOMEDICAL INC (US) 2019-08-15 US disclosed
CN-104940200-B Inhibitor of the polysubstituted aromatic compounds as fibrin ferment 维颂公司 2019-06-28 CN disclosed
WO-2018226150-A1 PYRAZOLOPYRIMIDINE AS MALT-1 INHIBITORS MEDIVIR AKTIEBOLAG (SE) 2018-12-13 WO disclosed
EP-2970321-B1 BUPRENORPHINE ANALOGS PURDUE PHARMA LP (US) 2018-06-27 EP disclosed
EP-3333156-A2 BENZOMORPHAN ANALOGS AND THE USE THEREOF Purdue Pharma L.P. (US) 2018-06-13 EP disclosed
US-9975854-B2 Benzomorphan analogs and use thereof PURDUE PHARMA L.P. (US) 2018-05-22 US disclosed
EP-2917182-B1 BENZOMORPHAN ANALOGS AND THE USE THEREOF PURDUE PHARMA LP (US) 2018-01-03 EP disclosed
EP-2917182-A2 BENZOMORPHAN ANALOGS AND THE USE THEREOF Purdue Pharma LP (US) 2015-09-16 EP disclosed
EP-2858976-A1 BENZOMORPHAN COMPOUNDS AS OPIOID RECEPTORS MODULATORS Purdue Pharma LP (US) 2015-04-15 EP disclosed
WO-2014140784-A2 BUPRENORPHINE ANALOGS PURDUE PHARMA L.P. (US) 2014-09-18 WO disclosed
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-05-08 US disclosed
WO-2013167963-A1 BENZOMORPHAN COMPOUNDS AS OPIOID RECEPTORS MODULATORS PURDUE PHARMA L.P. (US) 2013-11-14 WO disclosed
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 WO disclosed
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed
WO-2008100547-A2 COMPOSITIONS COMPRISING LAMIRIDOSIN, IRIDOIDS OR DERIVATIVES THEREOF FOR TREATMENT OF HEPATITIS C OR HEPATITIS B NY FINANCIAL (INTERNATIONAL) CORPORATION (VG) 2008-08-21 WO disclosed
US-20060247303-A1 7H-dibenzo[b,g][1,5]dioxocin-5-one derivatives and use thereof BAYER HEALTHCARE AG (DE) 2006-11-02 US disclosed