⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL74925 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL8346655 | 0.79 | — | — | |
| SCHEMBL3139581 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL5051635 | 0.71 | TSHR (0.30) | — | |
| Ethylene Glycol SCHEMBL11780392 | 0.71 | — | — | |
| SCHEMBL17814 | 0.71 | — | — | |
| SCHEMBL277607 | 0.71 | — | — | |
| Alcohol SCHEMBL9685181 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL17106487 | 0.68 | — | — | |
| Silicate SCHEMBL10978808 | 0.67 | — | — |
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-20120034456-A1 | MOLD RELEASE COMPOSITION AND SURFACE PROTECTIVE FILM | KIMOTO CO., LTD. (JP) | 2012-02-09 | — | — | US | disclosed |