⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1201124 | 0.77 | TDP1 (0.31) | — | |
| SCHEMBL45579 | 0.77 | AKR1C3 (0.34) | — | |
| SCHEMBL2448142 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL3325250 | 0.74 | GABRR1 (0.34) | — | |
| SCHEMBL1724209 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL141862 | 0.71 | — | — | |
| SCHEMBL471931 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9329751 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL9156165 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL42844 | 0.68 | PAOX (0.34) | — |
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-2005016291-A1 | HAIR AND SKIN ALTERING AND PROTECTING COMPOSITIONS | ISP INVESTMENTS INC. (US) | 2005-02-24 | — | — | WO | disclosed |