⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19035469 | 0.77 | — | — | |
| SCHEMBL14360218 | 0.76 | KMT2A (0.40) | — | |
| SCHEMBL12200371 | 0.74 | — | — | |
| SCHEMBL188282 | 0.74 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL188431 | 0.74 | — | — | |
| SCHEMBL24942357 | 0.72 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL15080602 | 0.71 | — | — | |
| SCHEMBL8448241 | 0.71 | — | — | |
| SCHEMBL30740387 | 0.70 | MEN1 (0.36) | — | |
| SCHEMBL19442747 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2313386-B1 | SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES | DSM IP ASSETS BV (NL) | 2012-01-04 | — | — | EP | disclosed |
| US-20110244531-A1 | SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES | JLL/DELTA DUTCH NEWCO B.V. (NL) | 2011-10-06 | — | — | US | disclosed |
| US-20110244531-A1 | SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES | JLL/DELTA DUTCH NEWCO B.V. (NL) | 2011-10-06 | — | — | US | disclosed |
| WO-2010010165-A1 | SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES | DSM IP ASSETS BV (NL) | 2010-01-28 | — | — | WO | disclosed |