⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL752443 | 1.00 | — | — | |
| SCHEMBL4161024 | 1.00 | — | — | |
| SCHEMBL12590722 | 0.79 | — | — | |
| SCHEMBL27094829 | 0.77 | — | — | |
| SCHEMBL15145733 | 0.77 | — | — | |
| SCHEMBL2939622 | 0.77 | — | — | |
| SCHEMBL12028391 | 0.74 | — | — | |
| SCHEMBL22135167 | 0.74 | — | — | |
| SCHEMBL11643871 | 0.71 | — | — | |
| SCHEMBL25189500 | 0.70 | NPSR1 (0.38) | — |
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-5525480-A | USED FOR DETERMINATION OF HYDROLASES; COLORIMETRIC ANALYSIS | BOEHRINGER MANNHEIM GMBH (DE) | 1996-06-11 | — | — | US | disclosed |
| US-5334505-A | For colorimetric determination of hydrolases | BOEHRINGER MANNHEIM GMBH (DE) | 1994-08-02 | — | — | US | disclosed |