⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9868211 | 0.81 | NISCH (0.51) | — | |
| SCHEMBL10907467 | 0.79 | NISCH (0.46) | — | |
| Fumaric Acid SCHEMBL10384330 | 0.76 | NISCH (0.44) | — | |
| SCHEMBL9867578 | 0.76 | — | — | |
| SCHEMBL10906535 | 0.75 | DRD2 (0.43) | — | |
| SCHEMBL10383763 | 0.74 | — | — | |
| SCHEMBL185756 | 0.69 | PRCP (0.42) | — | |
| SCHEMBL19254715 | 0.69 | PRCP (0.56) | — | |
| SCHEMBL11349031 | 0.69 | PRCP (0.56) | — | |
| SCHEMBL11592688 | 0.67 | PRCP (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5017584-A | Antidepressant 2-(4,5-dihydro-1H-imidazolyl)-dihydro-1H-indoles, -1,2,3,4-tetrahydroquinolines and -1H-indoles, and methods of use thereas | STERLING DRUG INC. (US) | 1991-05-21 | — | — | US | claimed |