⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL155431 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL29286330 | 0.94 | — | — | |
| SCHEMBL29167385 | 0.94 | — | — | |
| Hydroxyamine SCHEMBL8667086 | 0.92 | MEN1 (0.50) | — | |
| Calcium Chloride SCHEMBL28251468 | 0.87 | CYP2C9 (0.52) | — | |
| SCHEMBL3313335 | 0.82 | MEN1 (0.50) | — | |
| SCHEMBL22618855 | 0.80 | KMT2A (0.50) | — | |
| SCHEMBL7530289 | 0.80 | CYP2C9 (0.54) | — | |
| SCHEMBL5909175 | 0.79 | MEN1 (0.52) | — | |
| SCHEMBL11519798 | 0.79 | CYP2C9 (0.43) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0558521-A1 | ISONICOTINIC ACID DERIVATIVES AND RELATED SPIRO COMPOUNDS WITH HERBICIDAL ACTION | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-09-08 | — | — | EP | claimed |
| WO-1992009577-A1 | ISONICOTINIC ACID DERIVATIVES AND RELATED SPIRO COMPOUNDS WITH HERBICIDAL ACTION | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-06-11 | — | — | WO | claimed |
| US-5369084-A | Isonicotinic acid derivatives and related spiro compounds with herbicidal action | JANSSEN PHARMACEUTICAL N.V. (BE) | 1994-11-29 | — | — | US | disclosed |
| EP-0558521-A1 | ISONICOTINIC ACID DERIVATIVES AND RELATED SPIRO COMPOUNDS WITH HERBICIDAL ACTION | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-09-08 | — | — | EP | disclosed |
| WO-1992009577-A1 | ISONICOTINIC ACID DERIVATIVES AND RELATED SPIRO COMPOUNDS WITH HERBICIDAL ACTION | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-06-11 | — | — | WO | disclosed |