SCHEMBL5278917

SCHEMBL5278917

CCc1nc2c(C)cc(C)nc2n1Cc1cccc2nc(-c3ccccc3C(=O)O)ccc12.[NaH]

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
SCHEMBL27959183 0.91
SCHEMBL6558915 0.85
SCHEMBL7376048 0.84
SCHEMBL8327383 0.82
SCHEMBL683347 0.81 AGTR1 (0.67)
Benzoic Acid SCHEMBL614423 0.80
SCHEMBL15911370 0.78
SCHEMBL9282165 0.77
SCHEMBL6558909 0.76
SCHEMBL8913338 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389105-A4 METHOD OF TREATMENT MERCK & CO INC (US) 2005-08-17 EP claimed
EP-1389105-A1 METHOD OF TREATMENT Merck & Co., Inc. (US) 2004-02-18 EP claimed
WO-2002092081-A1 METHOD OF TREATMENT MERCK & CO., INC. (US) 2002-11-21 WO claimed
US-11834521-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2023-12-05 US disclosed
US-11319346-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2022-05-03 US disclosed
US-20220119449-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME BAUSCH HEALTH IRELAND LIMITED (IE) 2022-04-21 US disclosed
US-20210403508-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME JPMORGAN CHASE BANK, N.A. 2021-12-30 US disclosed
US-11142549-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2021-10-12 US disclosed
US-20200399315-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME JPMORGAN CHASE BANK, N.A. 2020-12-24 US disclosed
US-20190321439-A1 FORMULATIONS OF GUANYLATE CYCLASE C AGONISTS AND METHODS OF USE BAUSCH HEALTH IRELAND LTD (IE) 2019-10-24 US disclosed
US-10011637-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same SYNERGY PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
EP-3065757-A2 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR DOWNREGULATION OF PRO-INFLAMMATORY CYTOKINES Synergy Pharmaceuticals Inc. (US) 2016-09-14 EP disclosed
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 EP disclosed
WO-2006086562-A2 PHENYLAZETIDINONE DERIVATIVES MICROBIA, INC. (US) 2006-08-17 WO disclosed
EP-1389105-A4 METHOD OF TREATMENT MERCK & CO INC (US) 2005-08-17 EP disclosed
EP-1389114-A2 ANTIHYPERTENSIVE AGENT AND CHOLESTEROL ABSORPTION INHIBITOR COMBINATION THERAPY Merck & Co., Inc. (US) 2004-02-18 EP disclosed
EP-1389105-A1 METHOD OF TREATMENT Merck & Co., Inc. (US) 2004-02-18 EP disclosed
WO-2002092081-A1 METHOD OF TREATMENT MERCK & CO., INC. (US) 2002-11-21 WO disclosed
WO-2002072104-A2 ANTIHYPERTENSIVE AGENT AND CHOLESTEROL ABSORPTION INHIBITOR COMBINATION THERAPY MERCK & CO., INC. (US) 2002-09-19 WO disclosed