⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27509632 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL5729036 | 0.71 | CES1 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL507291 | 0.66 | CES1 (0.42) | — | |
| SCHEMBL1238252 | 0.62 | — | — | |
| Trifluoroacetic Acid SCHEMBL29819862 | 0.61 | TSHR (0.40) | — | |
| Water SCHEMBL27651933 | 0.61 | — | — | |
| Benzene SCHEMBL27686426 | 0.61 | — | — | |
| SCHEMBL25195357 | 0.59 | CA12 (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL1628375 | 0.59 | ALDH1A1 (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL8677566 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100256048-A1 | POLYPEPTIDE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2010-10-07 | — | — | US | disclosed |
| EP-2204379-A1 | POLYPEPTIDE COMPOUND | Astellas Pharma Inc. (JP) | 2010-07-07 | — | — | EP | disclosed |