⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24116746 | 0.85 | — | — | |
| SCHEMBL2423250 | 0.76 | — | — | |
| SCHEMBL27012981 | 0.76 | MAOA (0.31) | — | |
| SCHEMBL23961424 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL10454337 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL23104944 | 0.74 | MAOA (0.34) | — | |
| SCHEMBL15960263 | 0.74 | — | — | |
| SCHEMBL5326556 | 0.73 | — | — | |
| SCHEMBL19582464 | 0.72 | — | — | |
| SCHEMBL11667393 | 0.72 | TSHR (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4074694-A1 | AMINO ACID-, PEPTIDE- AN POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AN USES THEREOF | Massachusetts Institute Of Technology (US) | 2022-10-19 | — | — | EP | disclosed |
| WO-2017029274-A1 | USE OF DIETHANOLAMMONIUM DERIVATIVES AS SKIN MOISTURIZER | L'OREAL (FR) | 2017-02-23 | — | — | WO | disclosed |