⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL296325 | 1.00 | — | — | |
| Arsenic SCHEMBL27733641 | 0.97 | — | — | |
| Phosphonic Acid SCHEMBL27818559 | 0.97 | — | — | |
| SCHEMBL1348727 | 0.97 | — | — | |
| SCHEMBL28000990 | 0.97 | — | — | |
| SCHEMBL27809561 | 0.97 | — | — | |
| Phosphine SCHEMBL29055278 | 0.97 | — | — | |
| SCHEMBL15832839 | 0.97 | — | — | |
| Phosphoric Acid SCHEMBL27886173 | 0.89 | LPAR2 (0.30) | — | |
| Acetic Acid SCHEMBL27714999 | 0.87 | FFAR3 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101560022-B | Compound corrosion and scale inhibitor | XI AN XIELI POWER TECHNOLOGY CO LTD | 2011-05-11 | — | — | CN | disclosed |
| CN-101560022-A | Compound corrosion and scale inhibitor | XI AN XIELI POWER TECHNOLOGY C (CN) | 2009-10-21 | — | — | CN | disclosed |