SCHEMBL2012222

SCHEMBL2012222

CC(C)=CCC(C)(C)O

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
SCHEMBL23269829 0.82 GGPS1 (0.33)
SCHEMBL29616815 0.78 KMT2A (0.60)
SCHEMBL27008003 0.78 KMT2A (0.60)
SCHEMBL1698052 0.78 KMT2A (0.41)
SCHEMBL4277832 0.78
SCHEMBL15416747 0.77
SCHEMBL31226173 0.77
SCHEMBL4653602 0.77 KMT2A (0.64)
SCHEMBL28674475 0.77 KMT2A (0.64)
SCHEMBL8623650 0.77 KMT2A (0.64)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738021-B2 Preparation of TMTHF NITTO BELGIUM B.V. (BE) 2020-08-11 US claimed
EP-3500561-B1 PREPARATION OF TMTHF NITTO BELGIUM NV (BE) 2020-06-17 EP claimed
US-20190284150-A1 PREPARATION OF TMTHF NITTO BELGIUM B.V. (BE) 2019-09-19 US claimed
EP-3500561-A1 PREPARATION OF TMTHF Nitto Belgium NV (BE) 2019-06-26 EP claimed
WO-2018033635-A1 PREPARATION OF TMTHF NITTO BELGIUM NV (BE) 2018-02-22 WO claimed
US-10738021-B2 Preparation of TMTHF NITTO BELGIUM B.V. (BE) 2020-08-11 US disclosed
US-10738021-B2 Preparation of TMTHF NITTO BELGIUM B.V. (BE) 2020-08-11 US disclosed
US-10738021-B2 Preparation of TMTHF NITTO BELGIUM B.V. (BE) 2020-08-11 US disclosed
EP-3500561-B1 PREPARATION OF TMTHF NITTO BELGIUM NV (BE) 2020-06-17 EP disclosed
US-20190284150-A1 PREPARATION OF TMTHF NITTO BELGIUM B.V. (BE) 2019-09-19 US disclosed
US-20190284150-A1 PREPARATION OF TMTHF NITTO BELGIUM B.V. (BE) 2019-09-19 US disclosed
US-20190284150-A1 PREPARATION OF TMTHF NITTO BELGIUM B.V. (BE) 2019-09-19 US disclosed
EP-3500561-A1 PREPARATION OF TMTHF Nitto Belgium NV (BE) 2019-06-26 EP disclosed
EP-3500561-A1 PREPARATION OF TMTHF Nitto Belgium NV (BE) 2019-06-26 EP disclosed
CN-109790134-A The preparation of TMTHF 日东比利时公司 2019-05-21 CN disclosed
CN-109790134-A The preparation of TMTHF 日东比利时公司 2019-05-21 CN disclosed
WO-2018033635-A1 PREPARATION OF TMTHF NITTO BELGIUM NV (BE) 2018-02-22 WO disclosed
WO-2018033635-A1 PREPARATION OF TMTHF NITTO BELGIUM NV (BE) 2018-02-22 WO disclosed
EP-2336340-A1 Method for producing an alkene comprising the step of converting an alcohol by an enzymatic dehydration step Marliere, Philippe (FR) 2011-06-22 EP disclosed
EP-2336341-A1 Method for producing an alkene comprising the step of converting an alcohol by an enzymatic dehydration step Marliere, Philippe (FR) 2011-06-22 EP disclosed