⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6251461 | 0.71 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL296651 | 0.70 | — | — | |
| SCHEMBL7453607 | 0.67 | — | — | |
| SCHEMBL4788208 | 0.64 | — | — | |
| SCHEMBL5969104 | 0.57 | NOTUM (0.32) | — | |
| SCHEMBL6617171 | 0.57 | — | — | |
| SCHEMBL16541693 | 0.56 | — | — | |
| SCHEMBL310712 | 0.56 | — | — | |
| SCHEMBL1208896 | 0.56 | — | — | |
| SCHEMBL17891935 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6417185-B1 | HETEROCYCLIC ENZYME INHIBITORS | CHIRON CORPORATION | 2002-07-09 | — | — | US | disclosed |
| EP-0379428-B1 | IMPROVED METHOD FOR THE EXPRESSION OF BIOTIN IN BACILLUS SPHAERICUS | TRANSGENE S.A. (FR) | 1993-10-06 | — | — | EP | disclosed |
| EP-0379428-A1 | Improved method for the expression of biotin in bacillus sphaericus | TRANSGENE S.A. (FR) | 1990-07-25 | — | — | EP | disclosed |