⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11397668 | 0.71 | — | — | |
| SCHEMBL27870232 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL11532504 | 0.69 | — | — | |
| SCHEMBL126731 | 0.69 | — | — | |
| SCHEMBL16389076 | 0.69 | — | — | |
| SCHEMBL11592197 | 0.69 | — | — | |
| SCHEMBL18009446 | 0.67 | — | — | |
| SCHEMBL27693030 | 0.65 | — | — | |
| SCHEMBL8757675 | 0.65 | — | — | |
| SCHEMBL7521130 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102883705-A | Personal care formulations containing alkyl ketal esters and methods of manufacture | SEGETIS INC | 2013-01-16 | — | — | CN | claimed |
| CN-102883705-A | Personal care formulations containing alkyl ketal esters and methods of manufacture | SEGETIS INC | 2013-01-16 | — | — | CN | disclosed |