⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10961080 | 0.88 | TSHR (0.30) | — | |
| SCHEMBL6425877 | 0.86 | PTPN7 (0.32) | — | |
| SCHEMBL9794198 | 0.84 | PTPN7 (0.35) | — | |
| SCHEMBL336315 | 0.82 | — | — | |
| SCHEMBL8706020 | 0.77 | — | — | |
| SCHEMBL7174518 | 0.75 | — | — | |
| SCHEMBL5613275 | 0.74 | — | — | |
| SCHEMBL10781353 | 0.72 | DUT (0.30) | — | |
| SCHEMBL8667989 | 0.72 | — | — | |
| SCHEMBL3381957 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009137733-A1 | INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION | FABRE-KRAMER PHARMACEUTICALS, INC. (US) | 2009-11-12 | — | — | WO | disclosed |