⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3394884 | 1.00 | — | — | |
| SCHEMBL1960558 | 0.79 | — | — | |
| SCHEMBL27546854 | 0.79 | HTT (0.43) | — | |
| SCHEMBL2856718 | 0.79 | — | — | |
| SCHEMBL8089673 | 0.79 | HTT (0.43) | — | |
| SCHEMBL2856716 | 0.79 | — | — | |
| SCHEMBL8089680 | 0.79 | HTT (0.43) | — | |
| SCHEMBL17779148 | 0.78 | — | — | |
| SCHEMBL238112 | 0.78 | — | — | |
| SCHEMBL819848 | 0.75 | — | — |
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-6277862-B1 | METABOLICALLY STABLE NON-PEPTIDE NEUROKININ (NK-2 AND NK-3) ANTAGONISTS | SMITHKLINE BEECHAM S.P.A. (IT) | 2001-08-21 | — | — | US | disclosed |