⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18711314 | 0.78 | SPR (0.44) | — | |
| SCHEMBL18250727 | 0.73 | — | — | |
| SCHEMBL21577450 | 0.71 | KCNH2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL5655576 | 0.71 | F10 (0.32) | — | |
| SCHEMBL20851567 | 0.68 | F10 (0.41) | — | |
| SCHEMBL5655503 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL8378167 | 0.67 | CYP11B2 (0.39) | — | |
| SCHEMBL28411151 | 0.67 | LMNA (0.38) | — | |
| SCHEMBL16752448 | 0.65 | LMNA (0.37) | — | |
| SCHEMBL15543652 | 0.65 | LMNA (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-105985356-B | Imidazoles [2,1-b] thiazole and its preparation method and application | 四川大学 | 2018-06-22 | — | — | CN | disclosed |
| CN-105555780-B | SYK inhibitors | 吉利德科学公司 | 2018-01-23 | — | — | CN | disclosed |