⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24514005 | 0.88 | — | — | |
| SCHEMBL25666985 | 0.84 | — | — | |
| SCHEMBL25667496 | 0.80 | — | — | |
| SCHEMBL26024961 | 0.74 | — | — | |
| SCHEMBL11571662 | 0.74 | — | — | |
| SCHEMBL4882969 | 0.69 | — | — | |
| SCHEMBL25909376 | 0.68 | ANPEP (0.32) | — | |
| SCHEMBL10856093 | 0.68 | — | — | |
| SCHEMBL24349441 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL23823757 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018115984-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION | CELLIX BIO PRIVATE LIMITED (IN) | 2018-06-28 | — | — | WO | disclosed |