⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL347172 | 0.76 | — | — | |
| SCHEMBL11098098 | 0.72 | — | — | |
| SCHEMBL10834772 | 0.71 | — | — | |
| SCHEMBL10020718 | 0.69 | — | — | |
| SCHEMBL19287773 | 0.67 | — | — | |
| SCHEMBL12588448 | 0.67 | — | — | |
| SCHEMBL21932503 | 0.67 | — | — | |
| SCHEMBL7170924 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL9787340 | 0.64 | — | — | |
| SCHEMBL1627122 | 0.64 | — | — |
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-108101739-B | Method for continuously preparing 3,3, 3-trifluoro-1, 2-propanediol | 西安近代化学研究所 | 2021-04-13 | — | — | CN | disclosed |
| EP-2729448-A1 | COMPOUNDS FOR THE TREATMENT OF HIV | Gilead Sciences, Inc. (US) | 2014-05-14 | — | — | EP | disclosed |
| WO-2013006738-A1 | COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES, INC. (US) | 2013-01-10 | — | — | WO | disclosed |