⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22444030 | 1.00 | TRPV1 (0.38) | — | |
| SCHEMBL3797798 | 1.00 | TRPV1 (0.38) | — | |
| SCHEMBL3188730 | 1.00 | TRPV1 (0.38) | — | |
| SCHEMBL3799962 | 1.00 | TRPV1 (0.38) | — | |
| SCHEMBL20262121 | 1.00 | TRPV1 (0.38) | — | |
| SCHEMBL3188739 | 1.00 | TRPV1 (0.38) | — | |
| SCHEMBL3397326 | 1.00 | — | — | |
| SCHEMBL15918572 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL1300794 | 0.82 | HIF1A (0.37) | — | |
| SCHEMBL1300369 | 0.82 | HIF1A (0.37) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2391597-B1 | METHOD FOR PRODUCING PURE CYCLODODECANONE | BASF SE (DE) | 2018-08-22 | — | — | EP | disclosed |
| US-8188320-B2 | Process for preparing pure cyclododecanone | BASF SE (DE) | 2012-05-29 | — | — | US | disclosed |
| US-8188320-B2 | Process for preparing pure cyclododecanone | BASF SE (DE) | 2012-05-29 | — | — | US | disclosed |
| WO-2010086314-A1 | METHOD FOR PRODUCING PURE CYCLODODECANONE | BASF SE (DE) | 2010-08-05 | — | — | WO | disclosed |
| US-20100191018-A1 | PROCESS FOR PREPARING PURE CYCLODODECANONE | BASF SE (DE) | 2010-07-29 | — | — | US | disclosed |
| US-20100191018-A1 | PROCESS FOR PREPARING PURE CYCLODODECANONE | BASF SE (DE) | 2010-07-29 | — | — | US | disclosed |