⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1741012 | 0.69 | — | — | |
| SCHEMBL11715540 | 0.66 | ALDH1A1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL8328698 | 0.66 | TP53 (0.69) | — | |
| SCHEMBL17234472 | 0.64 | TP53 (0.68) | — | |
| SCHEMBL10144664 | 0.64 | — | — | |
| SCHEMBL19957455 | 0.64 | — | — | |
| SCHEMBL2340331 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL14844794 | 0.64 | NOS3 (0.48) | — | |
| SCHEMBL13369299 | 0.63 | CYP2D6 (0.44) | — | |
| SCHEMBL11016214 | 0.62 | — | — |
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-2002078667-A1 | ANTIBACTERIAL COMPOSITIONS FOR SKIN CARE | THE DIAL CORPORATION (US) | 2002-10-10 | — | — | WO | disclosed |