⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21913341 | 0.86 | LMNA (0.39) | — | |
| SCHEMBL30022220 | 0.78 | CA1 (0.35) | — | |
| SCHEMBL28414937 | 0.76 | — | — | |
| SCHEMBL17878150 | 0.76 | — | — | |
| SCHEMBL4584289 | 0.74 | — | — | |
| SCHEMBL6946343 | 0.73 | TAS1R3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL10605689 | 0.72 | — | — | |
| SCHEMBL2004361 | 0.70 | — | — | |
| SCHEMBL2004359 | 0.70 | — | — | |
| SCHEMBL11814556 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1296930-B1 | METHOD FOR PRODUCING ALKYLAMINES | BASF SE (DE) | 2009-08-19 | — | — | EP | disclosed |