⚠ 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 | |
|---|---|---|---|---|
| Nitrosoguanidine SCHEMBL96467 | 0.79 | — | — | |
| Nitrosoguanidine SCHEMBL28164333 | 0.77 | — | — | |
| Nitrosoguanidine SCHEMBL28033353 | 0.70 | LMNA (0.35) | — | |
| Cyclohexanol SCHEMBL11050171 | 0.69 | TSHR (0.40) | — | |
| Nitrosoguanidine SCHEMBL27701011 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL17971494 | 0.65 | TRIM24 (0.54) | — | |
| SCHEMBL33935 | 0.65 | — | — | |
| Nitrosoguanidine SCHEMBL27533013 | 0.64 | ALOX15 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8434379 | 0.64 | KMT2A (0.44) | — | |
| Nitrosoguanidine SCHEMBL28028483 | 0.62 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-4466886-A | Froth flotation method for recovering minerals | PETROVICH VOJISLAV | 1984-08-21 | — | — | US | disclosed |