⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7781681 | 0.79 | — | — | |
| SCHEMBL9299517 | 0.75 | — | — | |
| SCHEMBL11423982 | 0.73 | — | — | |
| SCHEMBL115704 | 0.73 | — | — | |
| SCHEMBL15762147 | 0.73 | — | — | |
| SCHEMBL523587 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL7781722 | 0.71 | — | — | |
| SCHEMBL8715327 | 0.71 | — | — | |
| SCHEMBL14379091 | 0.71 | — | — | |
| SCHEMBL4262343 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4228092-A | BY ALCOHOL ESTERIFICATION | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1980-10-14 | — | — | US | claimed |
| US-4228092-A | BY ALCOHOL ESTERIFICATION | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1980-10-14 | — | — | US | disclosed |