⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6357730 | 0.81 | — | — | |
| SCHEMBL5407103 | 0.77 | SLC6A3 (0.35) | — | |
| SCHEMBL4384083 | 0.77 | — | — | |
| SCHEMBL5407105 | 0.77 | SLC6A3 (0.35) | — | |
| SCHEMBL5402526 | 0.76 | SLC6A4 (0.31) | — | |
| SCHEMBL5402533 | 0.76 | SLC6A4 (0.31) | — | |
| SCHEMBL6356767 | 0.70 | — | — | |
| SCHEMBL6767722 | 0.66 | SLC6A3 (0.49) | — | |
| SCHEMBL4376456 | 0.63 | SLC6A3 (0.48) | — | |
| SCHEMBL4381739 | 0.63 | SLC6A3 (0.48) | — |
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-0996619-B1 | TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT | ORGANIX INC (US) | 2005-01-05 | — | — | EP | claimed |
| US-6353105-B1 | INHIBITORS OF 5-HYDROXY-TRYPTAMINE REUPTAKE OF A MONOAMINE TRANSPORTER; ANALOGS OF COCAINE; | ORGANIX, INC. | 2002-03-05 | — | — | US | claimed |