⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5952764 | 0.76 | — | — | |
| SCHEMBL8967149 | 0.76 | ANPEP (0.47) | — | |
| SCHEMBL792029 | 0.72 | — | — | |
| SCHEMBL27392823 | 0.71 | — | — | |
| Pentane SCHEMBL27677216 | 0.70 | — | — | |
| Hexane SCHEMBL2549000 | 0.70 | TSHR (0.58) | — | |
| Methylsulfanylmethane SCHEMBL7914521 | 0.69 | ANPEP (0.41) | — | |
| SCHEMBL10899969 | 0.67 | ANPEP (0.53) | — | |
| SCHEMBL1237 | 0.67 | ANPEP (0.53) | — | |
| Heptane SCHEMBL23091219 | 0.67 | TSHR (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4212552-A1 | ANTI-HER2 ANTIBODY-DRUG CONJUGATE | Daiichi Sankyo Company, Limited (JP) | 2023-07-19 | — | — | EP | disclosed |