⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23131 | 0.91 | — | — | |
| Water SCHEMBL27500796 | 0.87 | — | — | |
| SCHEMBL27959495 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27397580 | 0.87 | — | — | |
| Fluoride SCHEMBL27833372 | 0.87 | — | — | |
| Propionic Acid SCHEMBL28482387 | 0.75 | — | — | |
| Bicarbonate SCHEMBL28778534 | 0.71 | — | — | |
| SCHEMBL35764 | 0.70 | — | — | |
| Propionic Acid SCHEMBL4901417 | 0.70 | — | — | |
| Propionic Acid SCHEMBL28163736 | 0.70 | FFAR3 (0.91) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1304402-A | Sulfonamide derivatives | SANKYO CO (JP) | 2001-07-18 | — | — | CN | disclosed |
| CN-1033227-C | Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and their use. | SANKYO CO (JP) | 1996-11-06 | — | — | CN | disclosed |
| CN-1072686-A | Has Pyrmidine nucleoside derivatives of anti-tumor activity and its production and use | SANKYO CO (JP) | 1993-06-02 | — | — | CN | disclosed |