⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL308763 | 0.77 | — | — | |
| SCHEMBL19096064 | 0.77 | — | — | |
| SCHEMBL308452 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL377442 | 0.76 | HPGD (0.30) | — | |
| SCHEMBL25167863 | 0.75 | SIGMAR1 (0.30) | — | |
| SCHEMBL2392905 | 0.75 | SIGMAR1 (0.30) | — | |
| SCHEMBL18706549 | 0.75 | SIGMAR1 (0.30) | — | |
| SCHEMBL25267570 | 0.73 | — | — | |
| SCHEMBL63801 | 0.73 | — | — | |
| SCHEMBL1502938 | 0.72 | SOS1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5559235-A | ANTITUMOR | GLAXO WELLCOME INC. (US) | 1996-09-24 | — | — | US | disclosed |