⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16067296 | 0.63 | — | — | |
| SCHEMBL18850710 | 0.60 | — | — | |
| SCHEMBL15359895 | 0.55 | — | — | |
| SCHEMBL18619939 | 0.55 | — | — | |
| SCHEMBL14088942 | 0.54 | — | — | |
| SCHEMBL2844052 | 0.53 | — | — | |
| SCHEMBL22068261 | 0.50 | — | — | |
| SCHEMBL24519738 | 0.42 | — | — | |
| SCHEMBL3421955 | 0.41 | — | — | |
| P-Xylene SCHEMBL659510 | 0.41 | ACHE (0.73) | — |
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-2020247819-A2 | METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS | AGIOS PHARMACEUTICALS, INC. (US) | 2020-12-10 | — | — | WO | disclosed |
| WO-2019149260-A1 | PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2019-08-08 | — | — | WO | disclosed |