⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL552728 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL13955083 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL9947157 | 0.70 | CA1 (0.32) | — | |
| SCHEMBL14468630 | 0.68 | — | — | |
| SCHEMBL18685262 | 0.68 | — | — | |
| SCHEMBL12143838 | 0.65 | TSHR (0.35) | — | |
| SCHEMBL6722502 | 0.65 | TSHR (0.35) | — | |
| SCHEMBL8393219 | 0.65 | TSHR (0.35) | — | |
| SCHEMBL4122575 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL6722504 | 0.63 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| US-8937090-B2 | Parakeratosis inhibitor, pore-shrinking agent and external composition for skin | SHISEIDO COMPANY, LTD. (JP) | 2015-01-20 | — | — | US | disclosed |