⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11576056 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL17059985 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL1324849 | 0.72 | — | — | |
| SCHEMBL27901684 | 0.72 | HCAR2 (0.44) | — | |
| SCHEMBL467911 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL1326082 | 0.69 | ALDH1A1 (0.56) | — | |
| SCHEMBL322669 | 0.67 | — | — | |
| SCHEMBL64593 | 0.67 | ALDH1A1 (0.68) | — | |
| Ethyl Acetate SCHEMBL28203794 | 0.67 | — | — | |
| Ethyl Acetate SCHEMBL8506185 | 0.65 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3137586-B1 | FABRIC CARE COMPOSITIONS COMPRISING AN ORGANOSILOXANE POLYMER | PROCTER & GAMBLE (US) | 2020-07-15 | — | — | EP | claimed |
| EP-2650399-B1 | High temperature atomic layer deposition of silicon oxide thin films | VERSUM MAT US LLC (US) | 2019-09-11 | — | — | EP | claimed |
| EP-1292973-B1 | METHOD TO RESTORE HYDROPHOBICITY IN DIELECTRIC FILMS AND MATERIALS | HONEYWELL INT INC (US) | 2015-09-09 | — | — | EP | claimed |