⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1348575 | 0.81 | GAA (0.48) | — | |
| SCHEMBL11848506 | 0.79 | MGAM (0.36) | — | |
| SCHEMBL8372009 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL1115800 | 0.78 | CTSK (0.50) | — | |
| SCHEMBL13651409 | 0.78 | CTSK (0.50) | — | |
| SCHEMBL12081321 | 0.78 | CTSK (0.50) | — | |
| SCHEMBL13168709 | 0.77 | MMP1 (0.54) | — | |
| SCHEMBL11440408 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL12487398 | 0.75 | — | — | |
| SCHEMBL8916758 | 0.75 | — | — |
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-106458866-A | Aminocarbonyl carbamate compound | 爱思开生物制药株式会社 | 2017-02-22 | — | — | CN | disclosed |
| WO-2001030745-A1 | ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-03 | — | — | WO | disclosed |