⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL533620 | 0.93 | — | — | |
| SCHEMBL11052081 | 0.93 | — | — | |
| SCHEMBL20717667 | 0.84 | — | — | |
| SCHEMBL19847490 | 0.84 | — | — | |
| SCHEMBL8848075 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL3447415 | 0.83 | — | — | |
| SCHEMBL9130152 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL1846743 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL1487629 | 0.81 | ALDH1A1 (0.45) | — | |
| SCHEMBL532566 | 0.79 | CYP1A2 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0406334-A4 | HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION | — | 1991-11-13 | — | — | EP | claimed |
| EP-0406334-A1 | HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION | NELLCOR INCORPORATED (US) | 1991-01-09 | — | — | EP | claimed |
| WO-1990000572-A1 | HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION | NELLCOR INCORPORATED (US) | 1990-01-25 | — | — | WO | claimed |
| EP-0406334-A4 | HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION | — | 1991-11-13 | — | — | EP | disclosed |
| EP-0406334-A1 | HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION | NELLCOR INCORPORATED (US) | 1991-01-09 | — | — | EP | disclosed |
| WO-1990000572-A1 | HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION | NELLCOR INCORPORATED (US) | 1990-01-25 | — | — | WO | disclosed |