⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23534332 | 0.74 | TDP1 (0.39) | — | |
| SCHEMBL24707358 | 0.74 | TDP1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL23534754 | 0.72 | TDP1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL9037991 | 0.71 | SIGMAR1 (0.39) | — | |
| SCHEMBL3987049 | 0.71 | — | — | |
| SCHEMBL8809000 | 0.70 | SLC6A9 (0.40) | — | |
| SCHEMBL5556604 | 0.70 | SLC6A3 (0.39) | — | |
| SCHEMBL6027460 | 0.69 | — | — | |
| SCHEMBL216844 | 0.63 | NEK2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL8811823 | 0.62 | NEK2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10428049-B2 | TRPA1 modulators | ALGOMEDIX, INC. (US) | 2019-10-01 | — | — | US | disclosed |
| US-20190016701-A1 | TRPA1 MODULATORS | ALGOMEDIX, INC. (US) | 2019-01-17 | — | — | US | disclosed |