⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4300386 | 0.92 | — | — | |
| SCHEMBL5729870 | 0.80 | — | — | |
| SCHEMBL9118315 | 0.64 | — | — | |
| SCHEMBL11109726 | 0.60 | — | — | |
| SCHEMBL1833000 | 0.59 | — | — | |
| SCHEMBL65251 | 0.57 | — | — | |
| SCHEMBL2338 | 0.57 | — | — | |
| SCHEMBL11819707 | 0.57 | — | — | |
| SCHEMBL9415911 | 0.56 | TRIM24 (0.40) | — | |
| SCHEMBL7738645 | 0.56 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110230419-A1 | IAP BINDING COMPOUNDS | NUEVOLUTION A/S (DK) | 2011-09-22 | — | — | US | claimed |
| EP-2318363-A1 | HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS | Nuevolution A/S (DK) | 2011-05-11 | — | — | EP | claimed |
| WO-2009152824-A1 | HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS | NUEVOLUTION A/S (DK) | 2009-12-23 | — | — | WO | claimed |
| EP-4363373-A1 | CARBON NANOTUBE COMPOSITE COMPRISING MECHANICAL LIGANDS | Nanocore ApS (DK) | 2024-05-08 | — | — | EP | disclosed |
| WO-2023001506-A1 | CARBON NANOTUBE COMPOSITE COMPRISING MECHANICAL LIGANDS | NANOCORE APS (DK) | 2023-01-26 | — | — | WO | disclosed |
| US-20180340174-A1 | METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS | NANOCORE APS (DK) | 2018-11-29 | — | — | US | disclosed |
| EP-3218479-A1 | METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS | Nanocore ApS (DK) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016074683-A1 | METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS | LUNDORF PEDERSEN MATERIALS APS (DK) | 2016-05-19 | — | — | WO | disclosed |
| US-20110230419-A1 | IAP BINDING COMPOUNDS | NUEVOLUTION A/S (DK) | 2011-09-22 | — | — | US | disclosed |
| EP-2318363-A1 | HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS | Nuevolution A/S (DK) | 2011-05-11 | — | — | EP | disclosed |
| WO-2009152824-A1 | HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS | NUEVOLUTION A/S (DK) | 2009-12-23 | — | — | WO | disclosed |