⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11018758 | 0.74 | — | — | |
| SCHEMBL11814901 | 0.68 | ALDH1A1 (0.33) | — | |
| Nitric Acid SCHEMBL11616826 | 0.66 | TDP1 (0.32) | — | |
| SCHEMBL2041064 | 0.64 | — | — | |
| SCHEMBL2041062 | 0.64 | — | — | |
| SCHEMBL7105657 | 0.63 | GAA (0.30) | — | |
| SCHEMBL1304629 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL1305896 | 0.59 | — | — | |
| SCHEMBL13784748 | 0.59 | — | — | |
| Iodide SCHEMBL4181365 | 0.59 | — | — |
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-2007002931-A2 | PHOSPHORAMIDATE ALKYLATOR PRODRUGS | THRESHOLD PHARMACEUTICALS, INC. (US) | 2007-01-04 | — | — | WO | disclosed |