⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15319503 | 0.77 | — | — | |
| SCHEMBL15319504 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL15319952 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL15319954 | 0.75 | — | — | |
| SCHEMBL17669225 | 0.69 | — | — | |
| SCHEMBL10154543 | 0.69 | — | — | |
| SCHEMBL14050105 | 0.65 | — | — | |
| SCHEMBL6262150 | 0.62 | — | — | |
| SCHEMBL1070929 | 0.60 | — | — | |
| SCHEMBL25284084 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4279568-A1 | THE USE OF A NON-CANONICAL TERPENES OR TERPENOIDS AS AROMA CHEMICALS | BASF SE (DE) | 2023-11-22 | — | — | EP | disclosed |
| WO-1990003184-A1 | MATRIX WITH IMMUNOMODULATING ACTIVITY | MOREIN BROR (SE) | 1990-04-05 | — | — | WO | disclosed |