⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL835953 | 0.76 | — | — | |
| SCHEMBL114674 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL28100031 | 0.72 | — | — | |
| SCHEMBL819341 | 0.65 | — | — | |
| SCHEMBL11333386 | 0.65 | — | — | |
| SCHEMBL4685849 | 0.65 | — | — | |
| Cyanide SCHEMBL3121062 | 0.65 | — | — | |
| SCHEMBL835297 | 0.64 | — | — | |
| SCHEMBL1456842 | 0.64 | — | — | |
| SCHEMBL1766387 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140309265-A1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS | ENSEMBLE THERAPEUTICS (US) | 2014-10-16 | — | — | US | disclosed |
| EP-2300117-B1 | USE OF IONIC LIQUIDS CONTAINING TRICYANOMETHIDE ANIONS AS SOLVENT FOR EXTRACTING ALCOHOLS FROM AQUEOUS SOLUTIONS | MERCK PATENT GMBH (DE) | 2014-01-08 | — | — | EP | disclosed |
| US-7513944-B2 | Black ink composition, ink set, recording method and recorded matter | SEIKO EPSON CORPORATION (JP) | 2009-04-07 | — | — | US | disclosed |
| US-7427641-B2 | Ink composition | SEIKO EPSON CORPORATION (JP) | 2008-09-23 | — | — | US | disclosed |
| EP-1460112-B1 | INK COMPOSITION | SEIKO EPSON CORP (JP) | 2007-06-20 | — | — | EP | disclosed |
| EP-1424374-B1 | Black ink composition, ink set, recording method and recorded matter | SEIKO EPSON CORP (JP) | 2005-04-20 | — | — | EP | disclosed |
| US-20040249018-A1 | Ink composition | SEIKO EPSON CORPORATION (JP) | 2004-12-09 | — | — | US | disclosed |
| EP-1460112-A1 | INK COMPOSITION | Seiko Epson Corporation (JP) | 2004-09-22 | — | — | EP | disclosed |
| US-20040127601-A1 | Black ink composition, ink set, recording method and recorded matter | SEIKO EPSON CORPORATION | 2004-07-01 | — | — | US | disclosed |
| EP-1424374-A1 | Black ink composition, ink set, recording method and recorded matter | SEIKO EPSON CORPORATION (JP) | 2004-06-02 | — | — | EP | disclosed |
| US-5919349-A | Electrochemical reduction of organic compounds | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-06 | — | — | US | disclosed |
| WO-1999013132-A1 | ELECTROCHEMICAL REDUCTION OF ORGANIC COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 1999-03-18 | — | — | WO | disclosed |