⚠ 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 | |
|---|---|---|---|---|
| Beta-Alanine SCHEMBL20411566 | 0.96 | — | — | |
| Beta-Alanine SCHEMBL21500 | 0.96 | — | — | |
| Beta-Alanine SCHEMBL18281080 | 0.96 | — | — | |
| Beta-Alanine SCHEMBL23190 | 0.96 | LMNA (0.65) | — | |
| Beta-Alanine SCHEMBL29449904 | 0.96 | — | — | |
| Beta-Alanine SCHEMBL18281085 | 0.96 | — | — | |
| Beta-Alanine SCHEMBL11287803 | 0.93 | — | — | |
| Beta-Alanine SCHEMBL20516078 | 0.93 | — | — | |
| Beta-Alanine SCHEMBL65469 | 0.93 | — | — | |
| Beta-Alanine SCHEMBL1762164 | 0.93 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012063973-A1 | ANTIOXIDANT COMPOSITION COMPRISING OXIDIZED GLUTATHIONE | KYOWA HAKKO BIO CO., LTD. (JP) | 2012-05-18 | — | — | WO | disclosed |
| CN-1230579-A | Process of improving appearance of floor polish composition | ROHM & HAAS (US) | 1999-10-06 | — | — | CN | disclosed |
| CN-1230571-A | Process of improving leveling of floor polish composition | ROHM & HAAS (US) | 1999-10-06 | — | — | CN | disclosed |