⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2434982 | 1.00 | — | — | |
| SCHEMBL2432506 | 1.00 | — | — | |
| SCHEMBL43875 | 1.00 | — | — | |
| SCHEMBL574701 | 1.00 | — | — | |
| SCHEMBL574628 | 1.00 | — | — | |
| SCHEMBL8961863 | 1.00 | — | — | |
| Bromide SCHEMBL9149697 | 0.97 | SLC7A5 (0.63) | — | |
| Hydrochloric Acid SCHEMBL7200248 | 0.97 | — | — | |
| Glycine SCHEMBL1000042 | 0.87 | SLC7A5 (0.52) | — | |
| Diaminopropanoic Acid SCHEMBL16057725 | 0.83 | SLC7A5 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-8445440-B2 | Dimeric IAP inhibitors | NOVARTIS AG (CH) | 2013-05-21 | — | — | US | disclosed |
| US-20110206690-A1 | DIMERIC IAP INHIBITORS | NOVARTIS AG (CH) | 2011-08-25 | — | — | US | disclosed |