SCHEMBL16795992

SCHEMBL16795992

CCOC(Cc1c(N)nc(CCC(F)(F)C(F)(F)F)nc1O)OCC

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
SCHEMBL12040852 0.74 MAPT (0.33)
SCHEMBL2566115 0.74 MAPT (0.33)
SCHEMBL1002933 0.72 MAPT (0.32)
SCHEMBL1001222 0.66 MTOR (0.32)
SCHEMBL9700257 0.60 KDM4E (0.44)
SCHEMBL12395271 0.59 KMT2A (0.31)
SCHEMBL9687495 0.58 MAPK1 (0.44)
SCHEMBL7841194 0.57 KMT2A (0.40)
SCHEMBL18145208 0.56 PDE2A (0.35)
SCHEMBL18145246 0.55 LRRK2 (0.34)

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-3079701-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2021-08-11 EP disclosed
EP-3079700-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed
US-9783552-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-10 US disclosed
US-9611278-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-04-04 US disclosed
US-20160304536-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 US disclosed
US-20160304537-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 US disclosed
EP-3079700-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2016-10-19 EP disclosed
EP-3079701-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2016-10-19 EP disclosed
WO-2015088885-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-06-18 WO disclosed
WO-2015088886-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-06-18 WO disclosed