⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9804393 | 0.84 | TDP1 (0.43) | — | |
| SCHEMBL667789 | 0.82 | ALDH1A1 (0.52) | — | |
| SCHEMBL6453542 | 0.81 | — | — | |
| SCHEMBL36393 | 0.81 | THRB (0.46) | — | |
| SCHEMBL64376 | 0.80 | — | — | |
| SCHEMBL31217853 | 0.80 | TSHR (0.47) | — | |
| SCHEMBL28593895 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL28599397 | 0.80 | TSHR (0.44) | — | |
| Ethyl Acetate SCHEMBL226614 | 0.80 | ALDH1A1 (0.61) | — | |
| SCHEMBL141388 | 0.80 | ALDH1A1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-10130244-A | — | — | None | — | — | JP | disclosed |
| JP-H10130244-A | PRODUCTION OF ACYCLONUCLEOSIDE | MITSUBISHI CHEM CORP | 1998-05-19 | — | — | JP | disclosed |