⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3081097 | 0.78 | — | — | |
| SCHEMBL14690106 | 0.78 | — | — | |
| SCHEMBL9901404 | 0.76 | L3MBTL1 (0.34) | — | |
| SCHEMBL3563278 | 0.76 | — | — | |
| SCHEMBL1763533 | 0.75 | — | — | |
| SCHEMBL424664 | 0.75 | SLC6A3 (0.32) | — | |
| SCHEMBL15994632 | 0.73 | SLC6A3 (0.31) | — | |
| SCHEMBL14719008 | 0.73 | — | — | |
| SCHEMBL15740602 | 0.73 | — | — | |
| SCHEMBL17979250 | 0.72 | MLYCD (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022155941-A1 | CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-07-28 | — | — | WO | disclosed |
| EP-2509950-B1 | 5-Amino-4-hydroxypentoyl amides | JANSSEN R & D IRELAND (IE) | 2015-02-25 | — | — | EP | disclosed |
| US-8592429-B2 | 5-amino-4-hydroxypentoyl amides | JANSSEN R&D IRELAND (IE) | 2013-11-26 | — | — | US | disclosed |
| US-20120295920-A1 | 5-AMINO-4-HYDROXYPENTOYL AMIDES | JANSSEN SCIENCES IRELAND UC (IE) | 2012-11-22 | — | — | US | disclosed |
| EP-2509950-A1 | 5-AMINO- 4-HYDROXYPENTOYL AMIDES | Janssen R&D Ireland (IE) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011070131-A1 | 5-AMINO- 4-HYDROXYPENTOYL AMIDES | TIBOTEC PHARMACEUTICALS (IE) | 2011-06-16 | — | — | WO | disclosed |