⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27659502 | 0.88 | — | — | |
| SCHEMBL27689827 | 0.88 | — | — | |
| SCHEMBL27709429 | 0.88 | — | — | |
| SCHEMBL27689711 | 0.87 | — | — | |
| SCHEMBL2997770 | 0.86 | METAP1 (0.36) | — | |
| SCHEMBL2997771 | 0.86 | METAP1 (0.36) | — | |
| SCHEMBL4657449 | 0.86 | METAP1 (0.36) | — | |
| SCHEMBL27689732 | 0.78 | IDO1 (0.31) | — | |
| SCHEMBL3924280 | 0.73 | — | — | |
| SCHEMBL7514984 | 0.73 | ANPEP (0.46) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101389628-B | Indolopyridines as EG5 kinesin modulators | 4SC AG | 2013-02-27 | — | — | CN | disclosed |
| CN-101072561-B | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS INC | 2011-05-11 | — | — | CN | disclosed |
| CN-101389628-A | Indolopyridines as EG5 kinesin modulators | 4SC AG (DE) | 2009-03-18 | — | — | CN | disclosed |
| CN-101389629-A | Indolopyridines as EG5 kinesin modulators | 4SC AG (DE) | 2009-03-18 | — | — | CN | disclosed |
| EP-1416933-B8 | SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | AMGEN INC (US) | 2008-08-27 | — | — | EP | disclosed |
| CN-101072561-A | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2007-11-14 | — | — | CN | disclosed |
| EP-1416933-A1 | SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | Amgem, Inc. (US) | 2004-05-12 | — | — | EP | disclosed |
| EP-1417190-A1 | SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | Amgen Inc. (US) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003009847-A1 | SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | AMGEM, INC. (US) | 2003-02-06 | — | — | WO | disclosed |
| WO-2003009850-A1 | SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | AMGEN INC. (US) | 2003-02-06 | — | — | WO | disclosed |