⚠ 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 SCHEMBL10430134 | 1.00 | — | — | |
| Formic Acid SCHEMBL19712884 | 0.94 | — | — | |
| Formic Acid SCHEMBL28223807 | 0.94 | — | — | |
| Formic Acid SCHEMBL2445737 | 0.94 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL135831 | 0.94 | — | — | |
| Formic Acid SCHEMBL8848472 | 0.94 | — | — | |
| Formic Acid SCHEMBL74469 | 0.94 | — | — | |
| Formic Acid SCHEMBL11157968 | 0.88 | — | — | |
| Formic Acid SCHEMBL81191 | 0.88 | — | — | |
| Formic Acid SCHEMBL29202582 | 0.88 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1247535-A | Aminoepoxides from aminoaldehydes and in-situ formed halomethyl organometallic reagent | SEARLE & CO (US) | 2000-03-15 | — | — | CN | disclosed |