⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17351783 | 0.71 | — | — | |
| SCHEMBL9543315 | 0.69 | — | — | |
| SCHEMBL2844192 | 0.62 | — | — | |
| SCHEMBL13703812 | 0.58 | — | — | |
| SCHEMBL684764 | 0.58 | — | — | |
| SCHEMBL11759040 | 0.56 | — | — | |
| SCHEMBL5891532 | 0.56 | — | — | |
| SCHEMBL4621469 | 0.56 | — | — | |
| SCHEMBL6848643 | 0.56 | — | — | |
| SCHEMBL9532039 | 0.56 | — | — |
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-1993014113-A1 | PEPTIDES WITH TACHYKININ ANTAGONIST ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-22 | — | — | WO | disclosed |