⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3084598 | 0.71 | — | — | |
| SCHEMBL8553503 | 0.68 | ALDH1A1 (0.48) | — | |
| SCHEMBL8670919 | 0.63 | SRD5A2 (0.35) | — | |
| SCHEMBL11036444 | 0.58 | ALDH1A1 (0.55) | — | |
| SCHEMBL6263605 | 0.55 | CES1 (0.55) | — | |
| Oxalic Acid SCHEMBL198534 | 0.46 | — | — | |
| Oxalic Acid SCHEMBL9516229 | 0.46 | CA1 (0.50) | — | |
| Oxalic Acid SCHEMBL119834 | 0.46 | — | — | |
| SCHEMBL4937163 | 0.45 | CA1 (0.36) | — | |
| SCHEMBL22090193 | 0.45 | — | — |
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-8337585-A | — | — | None | — | — | JP | disclosed |
| JP-H08337585-A | CEPHEM COMPOUND, ITS PRODUCTION AND ANTIMICROBIAL COMPOSITION | TAKEDA CHEM IND LTD | 1996-12-24 | — | — | JP | disclosed |