⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9707588 | 0.76 | — | — | |
| SCHEMBL31338542 | 0.76 | — | — | |
| SCHEMBL31338545 | 0.74 | HTT (0.33) | — | |
| SCHEMBL31338548 | 0.73 | — | — | |
| SCHEMBL31338529 | 0.71 | ADORA3 (0.30) | — | |
| SCHEMBL16207594 | 0.66 | — | — | |
| SCHEMBL28984166 | 0.66 | TSHR (0.31) | — | |
| SCHEMBL5224569 | 0.66 | — | — | |
| SCHEMBL28902208 | 0.64 | — | — | |
| SCHEMBL15713526 | 0.64 | IDO1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0238196-B1 | CONJUGATE COMPOUND COMPRISING A MACROCYCLIC LIGAND AND AN ANTIBODY | CELLTECH LIMITED (GB) | 1991-09-25 | — | — | EP | disclosed |
| EP-0238196-A1 | Conjugate compound comprising a macrocyclic ligand and an antibody | CELLTECH LIMITED (GB) | 1987-09-23 | — | — | EP | disclosed |
| WO-1987005030-A1 | CONJUGATE COMPOUND | CELLTECH LIMITED (GB) | 1987-08-27 | — | — | WO | disclosed |