⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7184117 | 0.98 | THRB (0.36) | — | |
| SCHEMBL1948549 | 0.73 | — | — | |
| SCHEMBL2571893 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL5860334 | 0.71 | — | — | |
| SCHEMBL28018408 | 0.71 | — | — | |
| SCHEMBL1489999 | 0.71 | — | — | |
| SCHEMBL28370295 | 0.70 | — | — | |
| Sulfuric Acid SCHEMBL11558509 | 0.70 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL21549678 | 0.69 | — | — | |
| SCHEMBL1489998 | 0.69 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6472430-B2 | ANTIATHEROSCLEROTIC COMPOUNDS | WYETH | 2002-10-29 | — | — | US | disclosed |
| US-20020045776-A1 | Amino thioxomethyl amino oxyacetic acid derivatives | AMERICAN HOME PRODUCTS CORPORATION | 2002-04-18 | — | — | US | disclosed |