⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9140084 | 0.85 | USP2 (0.50) | — | |
| SCHEMBL9140089 | 0.85 | USP2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL8766670 | 0.83 | USP2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL9136048 | 0.83 | USP2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL8766667 | 0.83 | USP2 (0.48) | — | |
| SCHEMBL178673 | 0.81 | — | — | |
| SCHEMBL22307909 | 0.81 | MEN1 (0.55) | — | |
| SCHEMBL15623812 | 0.79 | ALDH1A2 (0.54) | — | |
| SCHEMBL14738671 | 0.79 | — | — | |
| SCHEMBL10639644 | 0.79 | — | — |
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-1984003088-A1 | NEW NITROSOUREAS, PREPARATION METHOD THEREOF AND THEIR APPLICATION IN THERAPY | CENTRE NAT RECH SCIENT (FR) | 1984-08-16 | — | — | WO | disclosed |