⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27364397 | 0.77 | — | — | |
| SCHEMBL9497797 | 0.75 | ADORA2B (0.33) | — | |
| Iodide SCHEMBL27303018 | 0.75 | CYP19A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL9443719 | 0.73 | ADORA2B (0.32) | — | |
| SCHEMBL2053090 | 0.73 | AVPR2 (0.32) | — | |
| SCHEMBL9038632 | 0.72 | CYP11B1 (0.46) | — | |
| SCHEMBL6950271 | 0.72 | CYP11B1 (0.44) | — | |
| SCHEMBL9533398 | 0.69 | PPARG (0.35) | — | |
| SCHEMBL15202232 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL5675147 | 0.68 | LTA4H (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101139349-A | Heterobicyclic compounds used as fungicides | BASF AG (DE) | 2008-03-12 | — | — | CN | disclosed |
| CN-100358896-C | Heterobicyclic compounds useful as fungicides | BASF AG (DE) | 2008-01-02 | — | — | CN | disclosed |
| US-20060199801-A1 | Heterobicyclic compounds used as fungicides | BASF AKTIENGESELLSCHAFT (DE) | 2006-09-07 | — | — | US | disclosed |
| CN-1774439-A | Heterobicyclic compounds useful as fungicides | BASF AG (DE) | 2006-05-17 | — | — | CN | disclosed |
| EP-1620436-A1 | HETEROBICYCLIC COMPOUNDS USED AS FUNGICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004092175-A1 | HETEROBICYCLIC COMPOUNDS USED AS FUNGICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2004-10-28 | — | — | WO | disclosed |