⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5365130 | 0.77 | — | — | |
| SCHEMBL7602023 | 0.75 | — | — | |
| SCHEMBL8018602 | 0.75 | — | — | |
| SCHEMBL6543947 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL7598223 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL28372047 | 0.68 | — | — | |
| SCHEMBL9147679 | 0.65 | TSHR (0.52) | — | |
| SCHEMBL1243651 | 0.64 | — | — | |
| SCHEMBL16662422 | 0.64 | ALDH1A1 (0.48) | — | |
| SCHEMBL5840288 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-0982296-B1 | Perfuming and flavouring agents | DRAGOCO GERBERDING CO AG (DE) | 2002-12-18 | — | — | EP | disclosed |
| EP-0982296-A1 | Perfuming and flavouring agents | Dragoco Gerberding & Co. GmbH (DE) | 2000-03-01 | — | — | EP | disclosed |