⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15094617 | 0.75 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL1445666 | 0.75 | MEN1 (0.31) | — | |
| SCHEMBL20640958 | 0.73 | MLYCD (0.34) | — | |
| SCHEMBL29224151 | 0.73 | FAAH (0.33) | — | |
| SCHEMBL23989852 | 0.73 | MLYCD (0.35) | — | |
| SCHEMBL27364335 | 0.71 | MLYCD (0.32) | — | |
| SCHEMBL18762431 | 0.70 | HDAC4 (0.30) | — | |
| SCHEMBL29224315 | 0.67 | SLC6A2 (0.33) | — | |
| SCHEMBL25255150 | 0.66 | MEN1 (0.34) | — | |
| SCHEMBL7867193 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118119613-A | Benzimidazoles as IL-17 modulators | 詹森药业有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-115884810-A | Imidazopyridazines as IL-17 modulators | 詹森药业有限公司 | 2023-03-31 | — | — | CN | disclosed |