⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28422264 | 0.90 | MAPT (0.32) | — | |
| Bromide SCHEMBL29012438 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL56953 | 0.90 | — | — | |
| Water SCHEMBL2134234 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL22836521 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL696443 | 0.86 | — | — | |
| SCHEMBL7123839 | 0.76 | — | — | |
| Acetone SCHEMBL19837822 | 0.76 | LMNA (0.43) | — | |
| Phosphoric Acid SCHEMBL10737767 | 0.73 | FDPS (0.45) | — | |
| Acetic Acid SCHEMBL7438398 | 0.73 | FFAR3 (0.47) | — |
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-5117057-A | Insecticidal N' substituted-N-N'-disubstituted-hydrazines | ROHM AND HAAS COMPANY (US) | 1992-05-26 | — | — | US | disclosed |