⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6835524 | 0.68 | — | — | |
| SCHEMBL9558214 | 0.64 | — | — | |
| SCHEMBL2102618 | 0.63 | — | — | |
| SCHEMBL131194 | 0.60 | — | — | |
| SCHEMBL9518640 | 0.54 | — | — | |
| SCHEMBL16684912 | 0.53 | — | — | |
| SCHEMBL9184017 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL3407512 | 0.52 | — | — | |
| SCHEMBL21151985 | 0.51 | — | — | |
| SCHEMBL51411 | 0.49 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8263588-B2 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2012-09-11 | — | — | US | disclosed |
| US-20100184741-A1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. | 2010-07-22 | — | — | US | disclosed |