SCHEMBL2109409

SCHEMBL2109409

COC(=O)c1c(C)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CBr)CN3C(=O)C1=CC2C=C(OC)C(OC)=C(OC)C2N1

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
Hydrochloric Acid SCHEMBL2230505 0.99
Bromide SCHEMBL2036664 0.99
Pibrozelesin SCHEMBL14499178 0.79 P4HB (0.44)
SCHEMBL13401608 0.76 TSHR (0.34)
SCHEMBL14012308 0.76 TSHR (0.34)
SCHEMBL13410096 0.76 HRH4 (0.34)
SCHEMBL13401541 0.74 HRH4 (0.34)
SCHEMBL14012235 0.71 HRH4 (0.45)
SCHEMBL13401447 0.71 SYK (0.39)
SCHEMBL7469393 0.70 P4HB (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 US claimed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 EP claimed
WO-2007061529-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY SCIDOSE LLC. (US) 2007-05-31 WO claimed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 US claimed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 EP claimed
US-20260102394-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2026-04-16 US disclosed
EP-4676602-A1 COMPOUNDS TARGETING MUTATIONS IN P53 AND USES THEREOF Merck Sharp & Dohme LLC (US) 2026-01-14 EP disclosed
US-12458640-B2 Pyrazolo[3,4-b]pyrazine SHP2 phosphatase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-11-04 US disclosed
CN-114206885-B Pyrazolo [3,4-B ] pyrazines SHP2 phosphatase inhibitors 大冢制药株式会社 2025-05-02 CN disclosed
WO-2024187153-A1 COMPOUNDS TARGETING MUTATIONS IN P53 AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-09-12 WO disclosed
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-02-16 US disclosed
US-20220304993-A1 CONJUGATES OF AN ELECTRON-DONATING NITROGEN OR TERTIARY AMINE COMPRISING COMPOUNDS ASCENDIS PHARMA A/S (DK) 2022-09-29 US disclosed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 US disclosed
EP-1653967-A2 COMBINATION OF A COX-2 INHIBITOR AND AN ALKYLATING-TYPE ANTINEOPLASTIC AGENT FOR TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2006-05-10 EP disclosed
US-20050214366-A1 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, LLC (US) 2005-09-29 US disclosed
WO-2004093856-A2 COMBINATION OF A COX-2 INHIBITOR AND AN ALKYLATING-TYPE ANTINEOPLASTIC AGENT FOR TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
US-20040072889-A1 Method of using a COX-2 inhibitor and an alkylating-type antineoplastic agent as a combination therapy in the treatment of neoplasia PHARMACIA CORPORATION 2004-04-15 US disclosed
US-20040058982-A1 Pharmaceutical compositions BIOAVAILABILITY SYSTEM, LLC (US) 2004-03-25 US disclosed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 EP disclosed