⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25827444 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL6578925 | 0.76 | LMNA (0.40) | — | |
| SCHEMBL6217339 | 0.76 | LMNA (0.40) | — | |
| SCHEMBL17818424 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL11681867 | 0.72 | — | — | |
| SCHEMBL17818417 | 0.71 | — | — | |
| SCHEMBL15560745 | 0.69 | — | — | |
| SCHEMBL2104204 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL29174088 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL22339885 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0573455-A1 | METHOD OF PREPARATION OF PILOCARPINES AND INTERMEDIATES THEREOF | MACFARLAN SMITH LIMITED (GB) | 1993-12-15 | — | — | EP | disclosed |
| WO-1992014693-A1 | METHOD OF PREPARATION OF PILOCARPINES AND INTERMEDIATES THEREOF | MACFARLAN SMITH LIMITED (GB) | 1992-09-03 | — | — | WO | disclosed |