⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20500312 | 0.88 | — | — | |
| SCHEMBL19212600 | 0.87 | SIGMAR1 (0.33) | — | |
| SCHEMBL10410544 | 0.84 | — | — | |
| SCHEMBL27989613 | 0.77 | MAPT (0.35) | — | |
| SCHEMBL28385533 | 0.76 | — | — | |
| SCHEMBL7064806 | 0.76 | SIGMAR1 (0.40) | — | |
| SCHEMBL27666610 | 0.74 | SIGMAR1 (0.46) | — | |
| SCHEMBL28856183 | 0.71 | SIGMAR1 (0.34) | — | |
| SCHEMBL6069453 | 0.70 | GNAI3 (0.32) | — | |
| SCHEMBL2249240 | 0.70 | SIGMAR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE35053-E | Intermediates for amino substituted steroids | THE UPJOHN COMPANY (US) | 1995-10-10 | — | — | US | disclosed |
| US-5099019-A | Central nervous system steroid derivative drugs | UPJOHN COMPANY (US) | 1992-03-24 | — | — | US | disclosed |