⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9667176 | 1.00 | — | — | |
| SCHEMBL9667218 | 1.00 | — | — | |
| SCHEMBL49756 | 1.00 | — | — | |
| SCHEMBL8776143 | 1.00 | — | — | |
| SCHEMBL28176431 | 0.96 | TSHR (0.41) | — | |
| SCHEMBL17041922 | 0.96 | TSHR (0.41) | — | |
| SCHEMBL28066454 | 0.96 | TSHR (0.41) | — | |
| Hydrochloric Acid SCHEMBL6813796 | 0.96 | TSHR (0.41) | — | |
| Bromide SCHEMBL11537123 | 0.96 | TSHR (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL28087343 | 0.96 | TSHR (0.41) | — |
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-1255738-B1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2012-03-07 | — | — | EP | disclosed |