⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6955183 | 1.00 | — | — | |
| SCHEMBL15039486 | 0.78 | — | — | |
| SCHEMBL15149892 | 0.75 | — | — | |
| SCHEMBL15037904 | 0.71 | — | — | |
| SCHEMBL441023 | 0.62 | — | — | |
| SCHEMBL471026 | 0.59 | — | — | |
| SCHEMBL4405963 | 0.59 | — | — | |
| SCHEMBL1304469 | 0.59 | — | — | |
| SCHEMBL1304467 | 0.59 | — | — | |
| SCHEMBL15579735 | 0.59 | — | — |
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-117730126-A | Near infrared ray curable ink composition, near infrared ray curable film, and method for producing near infrared ray cured product | 住友金属矿山株式会社 | 2024-03-19 | — | — | CN | disclosed |