⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7159320 | 1.00 | — | — | |
| SCHEMBL7159324 | 1.00 | — | — | |
| Ethane SCHEMBL27975940 | 0.96 | OR51E2 (0.33) | — | |
| SCHEMBL7820589 | 0.94 | FKBP5 (0.38) | — | |
| SCHEMBL7820583 | 0.94 | FKBP5 (0.38) | — | |
| Nitromethane SCHEMBL28152401 | 0.92 | OR51E2 (0.31) | — | |
| SCHEMBL11726868 | 0.92 | FKBP5 (0.37) | — | |
| SCHEMBL11724579 | 0.92 | FKBP5 (0.37) | — | |
| SCHEMBL10734147 | 0.73 | CHRNA1 (0.33) | — | |
| SCHEMBL7993733 | 0.73 | CHRNA1 (0.33) | — |
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-4150229-A | 2,5-Di-(ω-aminoalkyl-1')-pyrazines | CIBA-GEIGY CORPORATION (US) | 1979-04-17 | — | — | US | claimed |
| US-4150229-A | 2,5-Di-(ω-aminoalkyl-1')-pyrazines | CIBA-GEIGY CORPORATION (US) | 1979-04-17 | — | — | US | disclosed |
| US-4122128-A | Storable rapidly hardening epoxy resin adhesive | CIBA-GEIGY CORPORATION (US) | 1978-10-24 | — | — | US | disclosed |