⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27432794 | 0.77 | ELANE (0.32) | — | |
| SCHEMBL16060936 | 0.69 | PIM1 (0.36) | — | |
| SCHEMBL5657511 | 0.67 | CYP11B1 (0.33) | — | |
| SCHEMBL240920 | 0.62 | — | — | |
| SCHEMBL11466079 | 0.62 | — | — | |
| SCHEMBL28874117 | 0.61 | ALDH1A1 (0.36) | — | |
| SCHEMBL28048388 | 0.60 | ALPG (0.36) | — | |
| SCHEMBL28268961 | 0.60 | — | — | |
| SCHEMBL27539259 | 0.59 | TDP1 (0.44) | — | |
| SCHEMBL6941635 | 0.58 | CYP11B1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105307657-A | Heteroaryl compounds and uses thereof | CELGENE AVILOMICS RES INC | 2016-02-03 | — | — | CN | disclosed |