⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8656559 | 0.90 | NR3C1 (0.32) | — | |
| SCHEMBL8655584 | 0.87 | AKR1C3 (0.34) | — | |
| SCHEMBL8655553 | 0.85 | MAPT (0.35) | — | |
| SCHEMBL8650870 | 0.83 | HSD11B1 (0.33) | — | |
| SCHEMBL8768860 | 0.81 | — | — | |
| SCHEMBL8651638 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL8768139 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL9174063 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL8654560 | 0.72 | STS (0.38) | — | |
| SCHEMBL8653316 | 0.71 | LMNA (0.38) | — |
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-5519027-A | PROGESTERONE ANTAGONIST FOR OXYTOCICS OR PREVENTION OF TERMINATION OF PREGNANCY | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-05-21 | — | — | US | disclosed |