⚠ 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 SCHEMBL28083085 | 0.94 | — | — | |
| Formic Acid SCHEMBL28185439 | 0.94 | — | — | |
| Formic Acid SCHEMBL8351086 | 0.94 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL2445737 | 0.94 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL39520 | 0.94 | — | — | |
| Formic Acid SCHEMBL74469 | 0.94 | — | — | |
| Formic Acid SCHEMBL19712884 | 0.94 | — | — | |
| Formic Acid SCHEMBL10630221 | 0.94 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL16108323 | 0.94 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL28223807 | 0.94 | — | — |
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-104674351-B | A kind of formiate LiCa (COOH)3Monocrystalline optical material and preparation method thereof | 张香丽 | 2018-03-20 | — | — | CN | disclosed |
| CN-104674351-A | Formate LiCa(COOH)3 single-crystal optical material and preparation method thereof | ZHANG XIANGLI | 2015-06-03 | — | — | CN | disclosed |