⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24359 | 0.97 | — | — | |
| SCHEMBL17449772 | 0.97 | — | — | |
| SCHEMBL8769132 | 0.97 | CES2 (0.69) | — | |
| SCHEMBL28222287 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL12819430 | 0.94 | — | — | |
| SCHEMBL28584188 | 0.94 | — | — | |
| Helium SCHEMBL29771543 | 0.94 | — | — | |
| SCHEMBL28013486 | 0.94 | — | — | |
| SCHEMBL7530721 | 0.88 | CES2 (0.58) | — | |
| Propanol SCHEMBL909823 | 0.88 | CES2 (0.58) | — |
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-4326031-A | REDUCTION | DEGUSSA AG (DE) | 1982-04-20 | — | — | US | disclosed |
| US-4304858-A | Process for the continuous enzymatic change of water soluble α-ketocarboxylic acids into the corresponding amino acids | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1981-12-08 | — | — | US | disclosed |