⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5644274 | 0.79 | — | — | |
| SCHEMBL30745655 | 0.77 | — | — | |
| SCHEMBL109405 | 0.75 | — | — | |
| SCHEMBL12390569 | 0.75 | — | — | |
| SCHEMBL17056191 | 0.75 | — | — | |
| SCHEMBL1261985 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL497084 | 0.73 | — | — | |
| SCHEMBL27292956 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4129676 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL5731095 | 0.73 | CES2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018097944-A1 | TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2018-05-31 | — | — | WO | disclosed |
| CN-103864754-B | Five-membered azole heterocycle compound and preparation method thereof, pharmaceutical composition and purposes | 中国科学院上海药物研究所 | 2016-12-21 | — | — | CN | disclosed |