⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15204481 | 0.74 | — | — | |
| SCHEMBL19994523 | 0.64 | — | — | |
| SCHEMBL28138667 | 0.63 | — | — | |
| SCHEMBL31419767 | 0.62 | — | — | |
| SCHEMBL131862 | 0.62 | — | — | |
| SCHEMBL28504122 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL27992591 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL7103603 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL730466 | 0.60 | — | — | |
| SCHEMBL16701152 | 0.60 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116574346-A | Optical resin composition and optical resin sheet | 旭化成株式会社 | 2023-08-11 | — | — | CN | disclosed |