⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL562630 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL9225122 | 0.77 | ESR2 (0.31) | — | |
| SCHEMBL8949502 | 0.76 | MAPK14 (0.31) | — | |
| SCHEMBL9165781 | 0.67 | ESR1 (0.51) | — | |
| SCHEMBL7876604 | 0.66 | PDE3B (0.43) | — | |
| SCHEMBL30434937 | 0.65 | CASP3 (0.35) | — | |
| SCHEMBL30434812 | 0.65 | CASP3 (0.35) | — | |
| SCHEMBL8994244 | 0.65 | PDE3B (0.42) | — | |
| SCHEMBL9662771 | 0.63 | — | — | |
| SCHEMBL9166727 | 0.63 | ESR1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5567624-A | DYE BONDED TO SOLID SUPPORT THROUGH HYDRAZINE TYPE LINKAGE | UTAH MEDICAL PRODUCTS, INC. (US) | 1996-10-22 | — | — | US | disclosed |
| EP-0270946-B1 | CHROMOGENIC ACRIDINONE ENZYME SUBSTRATES | MILES INC. (US) | 1992-05-13 | — | — | EP | disclosed |
| EP-0459536-A1 | Chromogenic acridinone enzyme substrates | Bayer Corporation (US) | 1991-12-04 | — | — | EP | disclosed |
| US-4810636-A | HYDROLASES, COLORIMETRIC ANALYSIS | MILES INC. (US) | 1989-03-07 | — | — | US | disclosed |