⚠ 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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL8939283 | 0.81 | — | — | |
| Chloroacetic Acid SCHEMBL8939293 | 0.81 | — | — | |
| Acetic Acid SCHEMBL8939345 | 0.79 | — | — | |
| Glycolic Acid SCHEMBL10953166 | 0.78 | USP2 (0.32) | — | |
| SCHEMBL8939307 | 0.76 | THRB (0.34) | — | |
| Nitric Acid SCHEMBL8939273 | 0.76 | GRM2 (0.33) | — | |
| Oxalic Acid SCHEMBL3264634 | 0.76 | — | — | |
| SCHEMBL5870436 | 0.72 | — | — | |
| SCHEMBL4018597 | 0.72 | — | — | |
| SCHEMBL3500923 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5585511-A | ANTITUMOR AGENTS, SIDE EFFECT REDUCTION | SS PHARMACEUTICAL CO., LTD. (JP) | 1996-12-17 | — | — | US | disclosed |