⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16808277 | 0.80 | CA12 (0.30) | — | |
| SCHEMBL7038864 | 0.80 | CA12 (0.30) | — | |
| SCHEMBL8193600 | 0.78 | CTSK (0.33) | — | |
| SCHEMBL8193597 | 0.78 | CTSK (0.33) | — | |
| SCHEMBL19465020 | 0.78 | CTSK (0.33) | — | |
| SCHEMBL19236012 | 0.77 | CA12 (0.34) | — | |
| SCHEMBL24670538 | 0.75 | CA12 (0.31) | — | |
| SCHEMBL3216144 | 0.75 | DGAT1 (0.32) | — | |
| SCHEMBL13248112 | 0.73 | CTSL (0.33) | — | |
| SCHEMBL4326215 | 0.73 | CTSL (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015087857-A1 | ARYL AMIDINE COMPOUND AND BACTERICIDAL AGENT | 日本曹達株式会社 | 2015-06-18 | — | — | WO | disclosed |