⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11519715 | 0.76 | — | — | |
| SCHEMBL9640786 | 0.72 | MAPK1 (0.41) | — | |
| SCHEMBL9640788 | 0.72 | MAPK1 (0.41) | — | |
| SCHEMBL9639872 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL9639877 | 0.70 | MAPK1 (0.39) | — | |
| SCHEMBL10972489 | 0.70 | — | — | |
| Fluoride SCHEMBL10972490 | 0.70 | MAPK1 (0.39) | — | |
| Bicarbonate SCHEMBL9628771 | 0.66 | MAPK1 (0.33) | — | |
| SCHEMBL11519389 | 0.65 | — | — | |
| SCHEMBL9628774 | 0.64 | APLNR (0.31) | — |
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-4161491-A | Process for the production of alpha-ketocarboxylic acid amides and cycloaliphatic products | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-07-17 | — | — | US | disclosed |