⚠ 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 SCHEMBL9472719 | 1.00 | — | — | |
| Formic Acid SCHEMBL139759 | 1.00 | — | — | |
| Formic Acid SCHEMBL27658024 | 0.94 | — | — | |
| Formic Acid SCHEMBL28113096 | 0.94 | — | — | |
| Formic Acid SCHEMBL1301346 | 0.94 | — | — | |
| Formic Acid SCHEMBL29133265 | 0.94 | — | — | |
| Formic Acid SCHEMBL10896487 | 0.94 | — | — | |
| Formic Acid SCHEMBL11422022 | 0.94 | — | — | |
| Formic Acid SCHEMBL8468523 | 0.89 | TSHR (0.33) | — | |
| Formic Acid SCHEMBL30711690 | 0.89 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4436835-A | DEHYDROGENATION CATALYSTS | MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) | 1984-03-13 | — | — | US | disclosed |