⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11131282 | 0.71 | — | — | |
| SCHEMBL1162292 | 0.69 | — | — | |
| SCHEMBL9009770 | 0.65 | — | — | |
| SCHEMBL338632 | 0.65 | — | — | |
| SCHEMBL21719315 | 0.60 | ALOX5AP (0.31) | — | |
| SCHEMBL11388077 | 0.60 | — | — | |
| SCHEMBL21719319 | 0.60 | — | — | |
| SCHEMBL12020096 | 0.58 | DHFR (0.47) | — | |
| SCHEMBL14076717 | 0.58 | DHFR (0.38) | — | |
| SCHEMBL11489657 | 0.58 | ALDH1A1 (0.38) | — |
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-0255890-A1 | Process for the reaction of amines with heterocyclic reactive compounds | BAYER AG (DE) | 1988-02-17 | — | — | EP | disclosed |