⚠ 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 | |
|---|---|---|---|---|
| Methylphenylsulfide SCHEMBL1332325 | 0.97 | — | — | |
| Methylphenylsulfide SCHEMBL4902407 | 0.97 | — | — | |
| Methylphenylsulfide SCHEMBL7584 | 0.97 | — | — | |
| Methylphenylsulfide SCHEMBL27951695 | 0.97 | MAPT (0.53) | — | |
| Methylphenylsulfide SCHEMBL27970000 | 0.97 | MAPT (0.53) | — | |
| Methylphenylsulfide SCHEMBL6233931 | 0.93 | — | — | |
| Methylphenylsulfide SCHEMBL4382713 | 0.93 | MAPT (0.50) | — | |
| Methylphenylsulfide SCHEMBL1335985 | 0.93 | MAPT (0.50) | — | |
| Methylphenylsulfide SCHEMBL10703265 | 0.93 | — | — | |
| Methylphenylsulfide SCHEMBL4456412 | 0.93 | MAPT (0.50) | — |
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-1131321-B1 | INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS | LILLY CO ELI (GB) | 2003-09-10 | — | — | EP | disclosed |
| US-6329366-B1 | HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST | ELI LILLY AND COMPANY LIMITED (GB) | 2001-12-11 | — | — | US | disclosed |