⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21093502 | 0.73 | — | — | |
| SCHEMBL8724970 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL432417 | 0.70 | — | — | |
| SCHEMBL16499888 | 0.70 | — | — | |
| SCHEMBL9573595 | 0.67 | — | — | |
| SCHEMBL16824082 | 0.67 | — | — | |
| Trichloroacetic Acid SCHEMBL28169658 | 0.64 | ALDH1A1 (0.83) | — | |
| Carbon Tetrachloride SCHEMBL8602310 | 0.63 | — | — | |
| Trichloroacetic Acid SCHEMBL10745837 | 0.60 | — | — | |
| Trichloroacetic Acid SCHEMBL10493657 | 0.60 | TSHR (1.00) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014092984-A1 | ANTICORROSION AGENTS FOR TRANSPARENT CONDUCTIVE FILM COMPRISING AT LEAST ONE ORGANIC ACID | CARESTREAM HEALTH, INC. (US) | 2014-06-19 | — | — | WO | disclosed |
| EP-0011277-A1 | Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them | Takeda Chemical Industries, Ltd. (JP) | 1980-05-28 | — | — | EP | disclosed |