⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9676748 | 0.97 | — | — | |
| SCHEMBL27596434 | 0.75 | — | — | |
| SCHEMBL28688095 | 0.72 | — | — | |
| SCHEMBL2403021 | 0.72 | — | — | |
| SCHEMBL2562995 | 0.69 | — | — | |
| SCHEMBL6325933 | 0.69 | — | — | |
| SCHEMBL11208490 | 0.69 | — | — | |
| SCHEMBL1834106 | 0.67 | — | — | |
| SCHEMBL17373977 | 0.67 | — | — | |
| SCHEMBL3313561 | 0.67 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4283554-A | Process for production of β-chloroalanine | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1981-08-11 | — | — | US | claimed |
| JP-60258159-A | — | — | None | — | — | JP | disclosed |
| JP-55164661-A | — | — | None | — | — | JP | disclosed |
| JP-60152441-A | — | — | None | — | — | JP | disclosed |
| JP-56138151-A | — | — | None | — | — | JP | disclosed |
| JP-S60258159-A | PREPARATION OF CYSTEINE DERIVATIVE | SHOWA DENKO KK | 1985-12-20 | — | — | JP | disclosed |
| JP-S60152441-A | PRODUCTION OF PYRUVIC ACID | SHOWA DENKO KK | 1985-08-10 | — | — | JP | disclosed |
| JP-S56138151-A | PREPARATION OF BETA-CHLOROALANINE | SHOWA DENKO KK | 1981-10-28 | — | — | JP | disclosed |
| US-4283554-A | Process for production of β-chloroalanine | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1981-08-11 | — | — | US | disclosed |
| US-4283554-A | Process for production of β-chloroalanine | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1981-08-11 | — | — | US | disclosed |
| JP-S55164661-A | PREPARATION OF BETA-CHLOROALANINE | SHOWA DENKO KK | 1980-12-22 | — | — | JP | disclosed |