SCHEMBL3751507

SCHEMBL3751507

Cc1cc([NH3+])c(C)c(C)c1C.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

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
SCHEMBL577778 0.81
SCHEMBL30272954 0.74
SCHEMBL17817761 0.72 RAPGEF4 (0.33)
SCHEMBL148465 0.72 TRPA1 (0.33)
SCHEMBL4427505 0.71 SLC22A2 (0.31)
O-Tolylamine SCHEMBL578081 0.71 ACHE (0.38)
SCHEMBL19500661 0.69
Methylamine SCHEMBL3687155 0.68
SCHEMBL1452264 0.68 ACHE (0.34)
SCHEMBL30610443 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1920031-B1 LUBRICANTS FROM MIXED ALPHA-OLEFIN FEEDS EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-01-10 EP disclosed
US-9593288-B2 Lubricants from mixed alpha-olefin feeds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-03-14 US disclosed
US-20150252279-A1 Lubricants From Mixed Alpha-Olefin Feeds EXXONMOBIL CHEMICAL PATENTS INC. 2015-09-10 US disclosed
US-8921291-B2 Lubricants from mixed alpha-olefin feeds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-12-30 US disclosed
EP-2041190-B1 PROCESS TO PRODUCE POLYOLEFINS USING METALLOCENE CATALYSTS EXXONMOBIL CHEM PATENTS INC (US) 2012-10-24 EP disclosed
US-8071835-B2 Process to produce polyolefins using metallocene catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-12-06 US disclosed
US-20100292424-A1 Lubricants from Mixed Alpha-Olefin Feeds EXXONMOBIL CHEMICAL PATENTS INC. 2010-11-18 US disclosed
EP-1920031-A1 LUBRICANTS FROM MIXED ALPHA-OLEFIN FEEDS ExxonMobil Chemical Patents Inc. (US) 2008-05-14 EP disclosed
US-20080020928-A1 Process to produce polyolefins using metallocene catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2008-01-24 US disclosed
WO-2007011832-A1 LUBRICANTS FROM MIXED ALPHA-OLEFIN FEEDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-01-25 WO disclosed