⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17393084 | 0.68 | — | — | |
| SCHEMBL10903292 | 0.67 | — | — | |
| SCHEMBL9006929 | 0.67 | — | — | |
| SCHEMBL1759560 | 0.65 | — | — | |
| SCHEMBL9269603 | 0.65 | — | — | |
| SCHEMBL29490 | 0.61 | — | — | |
| SCHEMBL8388236 | 0.61 | — | — | |
| SCHEMBL7616052 | 0.61 | — | — | |
| Isopropyl Alcohol SCHEMBL29291910 | 0.61 | — | — | |
| SCHEMBL7639011 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6288059-B1 | ANTIASTHMATIC, ANTIALLERGEN AGENTS; URINARY INCONTINENCE; NATURAL KILLER CELL RECEPTOR AND TACHYKININ ANTAGONISTS | SANKYO COMPANY, LIMITED (JP) | 2001-09-11 | — | — | US | disclosed |