⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL98070 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL11059657 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL93724 | 0.93 | — | — | |
| Fluoride Ion SCHEMBL30462546 | 0.93 | — | — | |
| Water SCHEMBL319032 | 0.93 | — | — | |
| Iodide SCHEMBL2843484 | 0.93 | — | — | |
| Fluoride Ion SCHEMBL30462545 | 0.93 | — | — | |
| Bromide SCHEMBL6153684 | 0.93 | — | — | |
| Water SCHEMBL3860312 | 0.93 | MEN1 (0.56) | — | |
| SCHEMBL28194766 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116963713-A | Composition containing ceramide | 株式会社高丝 | 2023-10-27 | — | — | CN | disclosed |