⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1997434 | 0.79 | SLC6A3 (0.34) | — | |
| SCHEMBL247551 | 0.78 | — | — | |
| SCHEMBL2003684 | 0.76 | ADH1B (0.35) | — | |
| SCHEMBL1998774 | 0.73 | — | — | |
| SCHEMBL357112 | 0.71 | — | — | |
| SCHEMBL2007274 | 0.71 | — | — | |
| Acetaldehyde SCHEMBL28736656 | 0.71 | MAPK1 (0.40) | — | |
| SCHEMBL29391083 | 0.71 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL243565 | 0.70 | — | — | |
| SCHEMBL907879 | 0.69 | KDM4E (0.44) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024204554-A1 | SPIROCYCLIC MORPHINAN DERIVATIVE | 日本ケミファ株式会社 | 2024-10-03 | — | — | WO | claimed |
| US-20250171438-A1 | COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS | AGIOS PHARMACEUTICALS, INC. | 2025-05-29 | — | — | US | disclosed |
| WO-2024204554-A1 | SPIROCYCLIC MORPHINAN DERIVATIVE | 日本ケミファ株式会社 | 2024-10-03 | — | — | WO | disclosed |
| CN-117069720-A | 5-HT 2A Receptor agonist, preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-11-17 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-8138340-B2 | Bicyclononene derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-03-20 | — | — | US | disclosed |
| EP-1786814-B1 | BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-03-31 | — | — | EP | disclosed |
| US-20090306123-A1 | Bicyclononene derivaties | ACTELION PHARMACEUTICALS LTD. (CH) | 2009-12-10 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| EP-1786814-A1 | BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS | Actelion Pharmaceuticals Ltd. (CH) | 2007-05-23 | — | — | EP | disclosed |
| WO-2006021402-A1 | BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD. (CH) | 2006-03-02 | — | — | WO | disclosed |