⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL95277 | 0.86 | — | — | |
| SCHEMBL95275 | 0.83 | SOAT1 (0.31) | — | |
| SCHEMBL195258 | 0.76 | — | — | |
| SCHEMBL27418546 | 0.75 | LMNA (0.32) | — | |
| SCHEMBL28176835 | 0.73 | ALDH1A1 (0.32) | — | |
| Bicarbonate SCHEMBL95276 | 0.71 | FDPS (0.33) | — | |
| SCHEMBL195257 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL27995203 | 0.69 | — | — | |
| Propane SCHEMBL2296352 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL594532 | 0.68 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0039838-B2 | Greenhouse | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1989-11-02 | — | — | EP | disclosed |
| EP-0039838-B1 | Greenhouse | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1984-07-11 | — | — | EP | disclosed |
| EP-0039838-A1 | Greenhouse | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1981-11-18 | — | — | EP | disclosed |