⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5791287 | 0.68 | — | — | |
| SCHEMBL2050266 | 0.68 | — | — | |
| SCHEMBL3116028 | 0.63 | — | — | |
| SCHEMBL8380589 | 0.60 | — | — | |
| SCHEMBL16571254 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL8850065 | 0.58 | — | — | |
| SCHEMBL5950461 | 0.55 | ESR1 (0.46) | — | |
| SCHEMBL5950481 | 0.55 | ESR1 (0.39) | — | |
| Alcohol SCHEMBL14720567 | 0.54 | — | — | |
| SCHEMBL1976050 | 0.54 | TSHR (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2791120-B1 | 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF | SANOFI SA (FR) | 2016-02-24 | — | — | EP | claimed |