⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22607437 | 0.76 | — | — | |
| SCHEMBL14878 | 0.76 | — | — | |
| SCHEMBL27908271 | 0.76 | — | — | |
| SCHEMBL2368635 | 0.71 | — | — | |
| SCHEMBL11130642 | 0.71 | CCR2 (0.33) | — | |
| SCHEMBL19696190 | 0.71 | — | — | |
| SCHEMBL2368638 | 0.71 | — | — | |
| SCHEMBL2368639 | 0.71 | — | — | |
| SCHEMBL30192631 | 0.67 | L3MBTL1 (0.32) | — | |
| SCHEMBL30170167 | 0.67 | L3MBTL1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5077426-A | PREPARATION OF ALPHA-FORMYLAMINO NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 1991-12-31 | — | — | US | disclosed |