⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1685172 | 0.74 | — | — | |
| SCHEMBL13570184 | 0.70 | — | — | |
| SCHEMBL11872540 | 0.67 | — | — | |
| SCHEMBL1685183 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL10353165 | 0.61 | — | — | |
| SCHEMBL16450781 | 0.60 | — | — | |
| SCHEMBL28949212 | 0.59 | — | — | |
| SCHEMBL18800490 | 0.58 | ADRA2C (0.33) | — | |
| SCHEMBL1685195 | 0.57 | — | — | |
| SCHEMBL18878239 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200331918-A1 | TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF | DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) | 2020-10-22 | — | — | US | disclosed |
| US-9822077-B2 | Process for the preparation of 4-amino-5-fluoro-3-chloro-6-(substituted)picolinates | DOW AGROSCIENCES LLC (US) | 2017-11-21 | — | — | US | disclosed |
| US-9776995-B2 | Bicyclic sulfonamide compounds as sodium channel inhibitors | AMGEN INC. (US) | 2017-10-03 | — | — | US | disclosed |