⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6286333 | 0.84 | — | — | |
| SCHEMBL2884774 | 0.83 | — | — | |
| SCHEMBL2882491 | 0.78 | — | — | |
| SCHEMBL2099670 | 0.76 | LCK (0.41) | — | |
| SCHEMBL28960005 | 0.70 | — | — | |
| SCHEMBL19355 | 0.67 | — | — | |
| SCHEMBL3053141 | 0.65 | — | — | |
| SCHEMBL580950 | 0.61 | — | — | |
| SCHEMBL465854 | 0.61 | — | — | |
| SCHEMBL4354763 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5077427-A | PREPARATION OF ALPHA-FORMYLAMINO NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 1991-12-31 | — | — | US | disclosed |
| US-5077426-A | PREPARATION OF ALPHA-FORMYLAMINO NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 1991-12-31 | — | — | US | disclosed |