⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12937454 | 0.79 | S1PR1 (0.34) | — | |
| SCHEMBL18357527 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL18357518 | 0.76 | CA1 (0.31) | — | |
| SCHEMBL12936493 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL18357909 | 0.71 | MTNR1A (0.35) | — | |
| SCHEMBL7600315 | 0.67 | CYP1A2 (0.39) | — | |
| SCHEMBL12134879 | 0.66 | MEN1 (0.47) | — | |
| SCHEMBL11244311 | 0.65 | APP (0.42) | — | |
| SCHEMBL5528788 | 0.64 | CYP1A2 (0.38) | — | |
| SCHEMBL13446184 | 0.63 | S100B (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2638113-B1 | THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME | MILLIKEN & CO (US) | 2017-01-04 | — | — | EP | disclosed |