⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2041254 | 0.77 | — | — | |
| SCHEMBL15149467 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6444853 | 0.65 | — | — | |
| SCHEMBL2041422 | 0.63 | — | — | |
| SCHEMBL3159738 | 0.62 | — | — | |
| SCHEMBL4061595 | 0.62 | — | — | |
| SCHEMBL28133251 | 0.60 | GBA1 (0.35) | — | |
| SCHEMBL14972886 | 0.60 | — | — | |
| SCHEMBL14943979 | 0.60 | — | — | |
| SCHEMBL2041176 | 0.59 | — | — |
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-1997044328-A1 | 1-(ALKANOYL HALIDE)-2-CARBOXAMIDO-1,4,5,6-TETRAHYDROPYRAZINES | BASF AKTIENGESELLSCHAFT (DE) | 1997-11-27 | — | — | WO | claimed |
| WO-1996019460-A1 | 2-CARBAMOYL-1,4,5,6-TETRAHYDROPYRAZINES | BASF AKTIENGESELLSCHAFT (DE) | 1996-06-27 | — | — | WO | claimed |