⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL251429 | 0.75 | — | — | |
| SCHEMBL8087784 | 0.67 | — | — | |
| SCHEMBL8087786 | 0.67 | — | — | |
| SCHEMBL8089337 | 0.65 | — | — | |
| SCHEMBL8089335 | 0.65 | — | — | |
| SCHEMBL77662 | 0.65 | — | — | |
| SCHEMBL302638 | 0.64 | — | — | |
| SCHEMBL37642 | 0.64 | — | — | |
| SCHEMBL1541879 | 0.63 | — | — | |
| SCHEMBL1113332 | 0.63 | — | — |
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-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 |