⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL128482 | 0.78 | — | — | |
| SCHEMBL1372401 | 0.75 | PKM (0.39) | — | |
| SCHEMBL9069392 | 0.75 | PKM (0.39) | — | |
| SCHEMBL28216786 | 0.75 | PKM (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL29007565 | 0.75 | PKM (0.39) | — | |
| Hydrochloric Acid SCHEMBL16600366 | 0.75 | PKM (0.39) | — | |
| SCHEMBL28804484 | 0.75 | PKM (0.39) | — | |
| SCHEMBL7715460 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL11047367 | 0.73 | — | — | |
| SCHEMBL719463 | 0.73 | ALDH1A1 (0.32) | — |
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-5091549-A | SYNTHESIS OF D-MYOINOSITOL-1-PHOSPHATE | THE YOKOHAMA RUBBER COMPANY, LTD. (JP) | 1992-02-25 | — | — | US | disclosed |