⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9478474 | 0.92 | CNR2 (0.31) | — | |
| SCHEMBL9479034 | 0.88 | — | — | |
| SCHEMBL9478814 | 0.88 | — | — | |
| SCHEMBL9478595 | 0.88 | — | — | |
| SCHEMBL9423820 | 0.86 | KARS1 (0.30) | — | |
| SCHEMBL9030993 | 0.80 | KARS1 (0.30) | — | |
| SCHEMBL9476683 | 0.79 | PPOX (0.30) | — | |
| SCHEMBL9478152 | 0.77 | CNR2 (0.32) | — | |
| SCHEMBL9031886 | 0.76 | BCAT1 (0.43) | — | |
| SCHEMBL9423829 | 0.74 | CNR2 (0.31) | — |
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-5232898-A | Herbicides | CIBA-GEIGY CORPORATION (US) | 1993-08-03 | — | — | US | claimed |
| US-5232898-A | Herbicides | CIBA-GEIGY CORPORATION (US) | 1993-08-03 | — | — | US | disclosed |