⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276841 | 0.75 | — | — | |
| SCHEMBL26766 | 0.71 | — | — | |
| SCHEMBL7640768 | 0.71 | — | — | |
| SCHEMBL181160 | 0.71 | TSHR (0.55) | — | |
| SCHEMBL7259462 | 0.71 | — | — | |
| Guanidine SCHEMBL29271915 | 0.69 | NOS1 (0.31) | — | |
| SCHEMBL29177494 | 0.69 | TSHR (0.46) | — | |
| Bicarbonate SCHEMBL5494530 | 0.69 | TSHR (0.52) | — | |
| SCHEMBL6557046 | 0.69 | TSHR (0.52) | — | |
| SCHEMBL1685421 | 0.69 | — | — |
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 3 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 | 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 |