⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3661088 | 0.78 | ECE1 (0.33) | — | |
| SCHEMBL12475120 | 0.76 | TAS1R3 (0.42) | — | |
| SCHEMBL3163876 | 0.74 | TSHR (0.45) | — | |
| SCHEMBL2584566 | 0.73 | — | — | |
| SCHEMBL3512841 | 0.73 | — | — | |
| SCHEMBL3703631 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL8211133 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL8837390 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL754344 | 0.70 | — | — | |
| SCHEMBL6750233 | 0.70 | — | — |
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-8541462-B2 | Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors | AETERNA ZENTARIS GMBH (DE) | 2013-09-24 | — | — | US | disclosed |
| US-20120122763-A1 | NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS | AETERNA ZENTARIS GMBH (DE) | 2012-05-17 | — | — | US | disclosed |
| US-20090170783-A1 | NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS | AETERNA ZENTARIS GMBH (DE) | 2009-07-02 | — | — | US | disclosed |