⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20442214 | 0.80 | — | — | |
| SCHEMBL20225117 | 0.76 | — | — | |
| SCHEMBL22909568 | 0.76 | — | — | |
| SCHEMBL24282821 | 0.76 | TAS1R3 (0.32) | — | |
| SCHEMBL20436778 | 0.74 | — | — | |
| SCHEMBL20436768 | 0.74 | — | — | |
| SCHEMBL12859001 | 0.74 | TAS1R3 (0.33) | — | |
| SCHEMBL9945871 | 0.73 | TAS1R3 (0.35) | — | |
| SCHEMBL12946115 | 0.73 | TAS1R3 (0.31) | — | |
| SCHEMBL12180002 | 0.72 | — | — |
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-2023136342-A1 | TSP1 INHIBITOR | 第一三共株式会社 | 2023-07-20 | — | — | WO | disclosed |