⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9710879 | 0.75 | — | — | |
| SCHEMBL9247999 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL9251937 | 0.65 | — | — | |
| Phosphonic Acid SCHEMBL9541854 | 0.64 | LMNA (0.36) | — | |
| SCHEMBL9541657 | 0.63 | ATM (0.34) | — | |
| SCHEMBL28659737 | 0.63 | KCNN4 (0.41) | — | |
| SCHEMBL8386931 | 0.63 | POLB (0.36) | — | |
| SCHEMBL9710563 | 0.63 | — | — | |
| SCHEMBL9541851 | 0.63 | ATM (0.30) | — | |
| SCHEMBL9541848 | 0.63 | S1PR2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992019629-A1 | TRIAZOLE COMPOUNDS | JAPAT LTD. (CH) | 1992-11-12 | — | — | WO | disclosed |