⚠ 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 | |
|---|---|---|---|---|
| Tromethamine SCHEMBL9736256 | 0.86 | ALB (0.31) | — | |
| SCHEMBL1033158 | 0.78 | — | — | |
| SCHEMBL2852193 | 0.77 | ALB (0.40) | — | |
| SCHEMBL13351590 | 0.76 | HASPIN (0.30) | — | |
| SCHEMBL21626846 | 0.74 | TET2 (0.31) | — | |
| SCHEMBL10137834 | 0.72 | CDK1 (0.34) | — | |
| SCHEMBL12870924 | 0.65 | KMT2A (0.37) | — | |
| SCHEMBL27601159 | 0.65 | — | — | |
| SCHEMBL8080123 | 0.64 | LMNA (0.39) | — | |
| SCHEMBL17124968 | 0.62 | MITF (0.44) | — |
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-5462724-A | Antitumor agents, brain tumors | SCHINAZI RAYMOND F (US) | 1995-10-31 | — | — | US | disclosed |
| US-5405598-A | Carborane substituted nucleoside analogs | SCHINAZI RAYMOND F (US) | 1995-04-11 | — | — | US | disclosed |
| WO-1993017028-A1 | SENSITIZING AGENTS FOR USE IN BORON NEUTRON CAPTURE THERAPY | SCHINAZI RAYMOND F (US) | 1993-09-02 | — | — | WO | disclosed |