⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4830626 | 1.00 | — | — | |
| SCHEMBL4930327 | 0.77 | HTR2C (0.36) | — | |
| SCHEMBL906037 | 0.77 | HTR2C (0.36) | — | |
| SCHEMBL906000 | 0.73 | HTR2C (0.57) | — | |
| SCHEMBL7501270 | 0.73 | HTR2A (0.57) | — | |
| SCHEMBL4830620 | 0.73 | HTR2A (0.57) | — | |
| SCHEMBL4829213 | 0.71 | HTR2C (0.59) | — | |
| SCHEMBL7498574 | 0.69 | SLC6A2 (0.32) | — | |
| SCHEMBL4822359 | 0.69 | SLC6A2 (0.32) | — | |
| SCHEMBL4826364 | 0.69 | SLC6A2 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1202964-A1 | CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS | VERNALIS RESEARCH LIMITED (GB) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001012602-A1 | CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS | VERNALIS RESEARCH LIMITED (GB) | 2001-02-22 | — | — | WO | disclosed |