⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11240794 | 0.73 | — | — | |
| SCHEMBL2230323 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL9336565 | 0.67 | — | — | |
| SCHEMBL1412644 | 0.60 | MAPT (0.33) | — | |
| Pyridine SCHEMBL11383419 | 0.60 | — | — | |
| SCHEMBL543985 | 0.60 | — | — | |
| SCHEMBL9522276 | 0.55 | — | — | |
| SCHEMBL10028953 | 0.54 | — | — | |
| SCHEMBL4875489 | 0.51 | — | — | |
| SCHEMBL2634614 | 0.51 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4322422-A | Oxalylated amidinohydrazones, method for preparing same and use as insect and fire ant control agents | AMERICAN CYANAMID CO. (US) | 1982-03-30 | — | — | US | disclosed |
| US-4260776-A | PYRAZOLONE | BAYER AKTIENGESELLSCHAFT (DE) | 1981-04-07 | — | — | US | disclosed |