⚠ 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 SCHEMBL27911465 | 0.80 | — | — | |
| Formic Acid SCHEMBL8939280 | 0.80 | — | — | |
| Formic Acid SCHEMBL136498 | 0.80 | — | — | |
| Formic Acid SCHEMBL10591757 | 0.80 | — | — | |
| Butadiene SCHEMBL28167198 | 0.76 | — | — | |
| Butadiene SCHEMBL31318356 | 0.76 | ALDH1A1 (0.50) | — | |
| Formic Acid SCHEMBL10944559 | 0.75 | — | — | |
| Formic Acid SCHEMBL28454825 | 0.75 | — | — | |
| Formic Acid SCHEMBL28689258 | 0.75 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL1427817 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-5184401-A | — | — | None | — | — | JP | disclosed |
| JP-5184408-A | — | — | None | — | — | JP | disclosed |
| JP-H05184408-A | DEODORANT INSOLE | KANEBO LTD | 1993-07-27 | — | — | JP | disclosed |
| JP-H05184401-A | DEODORANT SHOES | KANEBO LTD | 1993-07-27 | — | — | JP | disclosed |