⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5324780 | 0.89 | — | — | |
| SCHEMBL5274662 | 0.85 | — | — | |
| SCHEMBL4640525 | 0.84 | TRPV1 (0.47) | — | |
| SCHEMBL5322537 | 0.84 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL4640618 | 0.82 | HPGD (0.50) | — | |
| SCHEMBL5281260 | 0.82 | SMN1; SMN2 (0.64) | — | |
| SCHEMBL5276305 | 0.82 | GRIN1 (0.52) | — | |
| SCHEMBL5325377 | 0.81 | — | — | |
| SCHEMBL14397117 | 0.81 | — | — | |
| SCHEMBL4641852 | 0.81 | TRPV1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007120012-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2007-10-25 | — | — | WO | claimed |
| WO-2007120012-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2007-10-25 | — | — | WO | disclosed |