⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8230982 | 0.74 | — | — | |
| SCHEMBL15039272 | 0.73 | — | — | |
| SCHEMBL2044974 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL6432091 | 0.73 | — | — | |
| SCHEMBL12716524 | 0.72 | MAPT (0.34) | — | |
| SCHEMBL17079286 | 0.70 | POLB (0.34) | — | |
| SCHEMBL12783401 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL983438 | 0.69 | MAPT (0.41) | — | |
| SCHEMBL12716534 | 0.69 | MAPT (0.46) | — | |
| SCHEMBL14562540 | 0.68 | KDM4E (0.32) | — |
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-5013745-A | Mercapto-1,3,4-oxadiazole or thiadiazole derivatives | CIBA-GEIGY CORPORATION (US) | 1991-05-07 | — | — | US | disclosed |
| EP-0364395-A1 | Nematicides | CIBA-GEIGY AG (CH) | 1990-04-18 | — | — | EP | disclosed |