⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1092060 | 0.77 | — | — | |
| SCHEMBL24497382 | 0.77 | — | — | |
| SCHEMBL6894909 | 0.73 | — | — | |
| SCHEMBL4951608 | 0.70 | LMNA (0.53) | — | |
| SCHEMBL5955597 | 0.70 | LMNA (0.39) | — | |
| SCHEMBL5955603 | 0.70 | LMNA (0.39) | — | |
| SCHEMBL3326726 | 0.70 | LMNA (0.53) | — | |
| SCHEMBL12896547 | 0.69 | — | — | |
| SCHEMBL12778341 | 0.68 | MIF (0.31) | — | |
| SCHEMBL7996426 | 0.68 | RAB9A (0.30) | — |
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-20080119419-A1 | Bifunctional heterocyclic compounds and methods of making and using same | BioVersys AG (CH) | 2008-05-22 | — | — | US | disclosed |
| US-20080119419-A1 | Bifunctional heterocyclic compounds and methods of making and using same | BioVersys AG (CH) | 2008-05-22 | — | — | US | disclosed |
| US-7335753-B2 | Bifunctional heterocyclic compounds and methods of making and using same | RIB-X PHARMACEUTICALS, INC. (US) | 2008-02-26 | — | — | US | disclosed |