⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10843354 | 0.92 | — | — | |
| SCHEMBL1711205 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL11237533 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL3924179 | 0.75 | — | — | |
| SCHEMBL23579190 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL17530091 | 0.74 | DNM1 (0.33) | — | |
| SCHEMBL11221316 | 0.74 | — | — | |
| SCHEMBL11121380 | 0.74 | — | — | |
| SCHEMBL2430576 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL28899886 | 0.74 | TSHR (0.42) | — |
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-20080045596-A1 | Ep2 Receptor Agonists | ASTERAND, INC. | 2008-02-21 | — | — | US | disclosed |