⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL27354397 | 0.88 | — | — | |
| Formic Acid SCHEMBL27995930 | 0.81 | — | — | |
| Formic Acid SCHEMBL27758300 | 0.81 | — | — | |
| SCHEMBL866572 | 0.80 | — | — | |
| Formic Acid SCHEMBL28259613 | 0.79 | — | — | |
| Formic Acid SCHEMBL27913171 | 0.77 | — | — | |
| Formic Acid SCHEMBL29267205 | 0.74 | ALDH1A1 (0.31) | — | |
| Formic Acid SCHEMBL27799648 | 0.74 | — | — | |
| SCHEMBL12390851 | 0.74 | — | — | |
| Formic Acid SCHEMBL29049914 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105916855-B | Substituted 4, 5, 6, 7-tetrahydropyrazolo [1,5-a ] pyrazine derivatives as casein kinase 1D/E inhibitors | 百时美施贵宝公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-1294574-A | Fungicidal amides | APPRAISEMENT COMMISION OF ARKA (US) | 2001-05-09 | — | — | CN | disclosed |