⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1315066 | 0.91 | — | — | |
| Ethane SCHEMBL10525246 | 0.88 | OPRM1 (0.55) | — | |
| SCHEMBL29166558 | 0.88 | OPRM1 (0.55) | — | |
| SCHEMBL7638485 | 0.88 | OPRM1 (0.55) | — | |
| SCHEMBL2501737 | 0.88 | OPRM1 (0.55) | — | |
| SCHEMBL29098465 | 0.88 | — | — | |
| SCHEMBL7070069 | 0.88 | OPRM1 (0.55) | — | |
| SCHEMBL2852656 | 0.88 | OPRM1 (0.55) | — | |
| SCHEMBL2501718 | 0.88 | OPRM1 (0.55) | — | |
| SCHEMBL7639781 | 0.88 | OPRM1 (0.55) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074108-B3 | RENIN INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2013-06-26 | — | — | EP | disclosed |
| CN-101122648-B | Polarizing film, laminated film, and liquid crystal display | NITTO DENKO CORP | 2011-05-04 | — | — | CN | disclosed |
| CN-100432086-C | Fluorination process | MITSUBISHI GAS CHEMICAL CO (JP) | 2008-11-12 | — | — | CN | disclosed |
| CN-100390579-C | Polarizing film, laminated film and liquid crystal display | NITTO DENKO CORP (JP) | 2008-05-28 | — | — | CN | disclosed |
| CN-101122648-A | Polarizing film, laminated film, and liquid crystal display | NITTO DENKO CORP (JP) | 2008-02-13 | — | — | CN | disclosed |
| CN-1974588-A | Fluorination process | MITSUBISHI GAS CHEMICAL CO (JP) | 2007-06-06 | — | — | CN | disclosed |
| CN-1833185-A | Polarizing film, laminated film and liquid crystal display | NITTO DENKO CORP (JP) | 2006-09-13 | — | — | CN | disclosed |
| CN-1720256-A | Fluorination process | MITSUBISHI GAS CHEMICAL CO (JP) | 2006-01-11 | — | — | CN | disclosed |
| US-5545568-A | ARRAY OF COMPOUNDS ON SUBSTRATE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1996-08-13 | — | — | US | disclosed |
| WO-1994006291-A1 | SOLID PHASE AND COMBINATORIAL SYNTHESIS OF COMPOUNDS ON A SOLID SUPPORT | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1994-03-31 | — | — | WO | disclosed |
| US-5288514-A | Linking a protected 2-aminobenzophenone to a substrate; deprotecting and reacting with an amino acid; cyclization; removal from substrate; screening | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1994-02-22 | — | — | US | disclosed |