⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6539560 | 0.86 | CA2 (0.45) | — | |
| SCHEMBL6538851 | 0.84 | ZDHHC7 (0.46) | — | |
| SCHEMBL6539661 | 0.79 | — | — | |
| SCHEMBL9714321 | 0.78 | — | — | |
| SCHEMBL5482980 | 0.78 | HDAC7 (0.43) | — | |
| SCHEMBL3367550 | 0.77 | HDAC7 (0.65) | — | |
| SCHEMBL2045243 | 0.75 | — | — | |
| SCHEMBL1003600 | 0.75 | — | — | |
| SCHEMBL12824448 | 0.75 | — | — | |
| SCHEMBL15314102 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6812235-B2 | 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-11-02 | — | — | US | disclosed |
| US-20030018193-A1 | Beta-alanine derivatives and their use as receptor anatgonists | ASTELLAS PHARMA INC. (JP) | 2003-01-23 | — | — | US | disclosed |
| EP-1255748-A1 | BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001060813-A1 | BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-08-23 | — | — | WO | disclosed |