⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8010104 | 0.80 | POLB (0.31) | — | |
| SCHEMBL22115475 | 0.79 | POLB (0.32) | — | |
| SCHEMBL22115472 | 0.79 | POLB (0.32) | — | |
| SCHEMBL22115474 | 0.79 | POLB (0.32) | — | |
| SCHEMBL5862336 | 0.70 | — | — | |
| SCHEMBL5862305 | 0.69 | — | — | |
| SCHEMBL7249178 | 0.67 | HSD17B10 (0.42) | — | |
| SCHEMBL5862132 | 0.65 | — | — | |
| SCHEMBL14933289 | 0.65 | CYP2D6 (0.30) | — | |
| SCHEMBL1684861 | 0.65 | LMNA (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12234206-B2 | Bi- and tricyclic compounds for use as aroma chemicals | BASF SE (DE) | 2025-02-25 | — | — | US | disclosed |
| US-20220064095-A1 | BI- AND TRICYCLIC COMPOUNDS FOR USE AS AROMA CHEMICALS | P2 SCIENCE INC. | 2022-03-03 | — | — | US | disclosed |
| EP-3898564-A1 | BI- AND TRICYCLIC COMPOUNDS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020127305-A1 | BI- AND TRICYCLIC COMPOUNDS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2020-06-25 | — | — | WO | disclosed |
| EP-3670488-A1 | BI- AND TRICYCLIC KETONES FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2020-06-24 | — | — | EP | disclosed |