⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20739486 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL25706919 | 0.80 | — | — | |
| SCHEMBL23127842 | 0.76 | — | — | |
| SCHEMBL25141740 | 0.76 | — | — | |
| SCHEMBL24805905 | 0.75 | — | — | |
| SCHEMBL22820150 | 0.74 | — | — | |
| SCHEMBL23517527 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL22820193 | 0.71 | MAOB (0.33) | — | |
| SCHEMBL16311698 | 0.69 | — | — | |
| SCHEMBL22820323 | 0.64 | NPC1 (0.34) | — |
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-20230259031-A1 | RESIST UNDERLAYER FILM-FORMING COMPOSITION | NISSAN CHEMICAL CORPORATION (JP) | 2023-08-17 | — | — | US | disclosed |