⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9873238 | 0.91 | — | — | |
| SCHEMBL9871760 | 0.87 | MEN1 (0.32) | — | |
| SCHEMBL9873485 | 0.80 | CRHR1 (0.31) | — | |
| SCHEMBL9872253 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL9874395 | 0.74 | — | — | |
| SCHEMBL11500135 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL11251370 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL9045189 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL9044517 | 0.67 | ADORA2A (0.30) | — | |
| SCHEMBL9871780 | 0.66 | SLC6A2 (0.38) | — |
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-5010082-A | Fungicides, microbiocides | CIBA-GEIGY CORPORATION (US) | 1991-04-23 | — | — | US | claimed |
| US-5010082-A | Fungicides, microbiocides | CIBA-GEIGY CORPORATION (US) | 1991-04-23 | — | — | US | disclosed |