⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29024550 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28539102 | 0.74 | — | — | |
| SCHEMBL1426645 | 0.71 | — | — | |
| SCHEMBL3394623 | 0.69 | DPP4 (0.38) | — | |
| SCHEMBL27431361 | 0.68 | SHBG (0.31) | — | |
| SCHEMBL12304972 | 0.67 | — | — | |
| SCHEMBL14599451 | 0.67 | CYP19A1 (0.36) | — | |
| SCHEMBL13464581 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL19957357 | 0.66 | — | — | |
| SCHEMBL6586875 | 0.65 | — | — |
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-2003063845-A1 | ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS | WARNER-LAMBERT COMPANY LLC (US) | 2003-08-07 | — | — | WO | disclosed |