⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4715911 | 0.80 | TSHR (0.41) | — | |
| SCHEMBL18291794 | 0.78 | BTN3A1 (0.32) | — | |
| SCHEMBL11952583 | 0.78 | BTN3A1 (0.33) | — | |
| SCHEMBL29254125 | 0.77 | — | — | |
| SCHEMBL25370472 | 0.77 | CTSA (0.38) | — | |
| SCHEMBL7616328 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL14118485 | 0.76 | — | — | |
| SCHEMBL6426028 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL4670278 | 0.75 | — | — | |
| SCHEMBL27345547 | 0.75 | CA2 (0.33) | — |
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-6919141-B2 | Phosphate additives for nonaqueous electrolyte rechargeable electrochemical cells | WILSON GREATBATCH TECHNOLOGIES, INC. (US) | 2005-07-19 | — | — | US | claimed |
| CN-114787359-A | Method for producing peptide containing unnatural amino acid | 中外制药株式会社 | 2022-07-22 | — | — | CN | disclosed |