⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27574240 | 0.93 | ALDH1A1 (0.46) | — | |
| SCHEMBL27929532 | 0.90 | TSHR (0.48) | — | |
| SCHEMBL28333098 | 0.84 | CNR2 (0.56) | — | |
| SCHEMBL11407664 | 0.83 | ALDH1A1 (0.50) | — | |
| SCHEMBL4392445 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL23633200 | 0.79 | CNR2 (0.33) | — | |
| SCHEMBL27682041 | 0.79 | CNR2 (0.37) | — | |
| SCHEMBL28969501 | 0.79 | CNR2 (0.60) | — | |
| SCHEMBL28467495 | 0.79 | CNR2 (0.51) | — | |
| SCHEMBL25418892 | 0.79 | — | — |
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 |