⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17570522 | 0.64 | — | — | |
| SCHEMBL17308193 | 0.59 | — | — | |
| SCHEMBL23288587 | 0.57 | AHR (0.31) | — | |
| SCHEMBL20020995 | 0.55 | KDM4E (0.32) | — | |
| SCHEMBL18961188 | 0.55 | — | — | |
| SCHEMBL6437554 | 0.54 | CYP2A6 (0.40) | — | |
| SCHEMBL1542779 | 0.54 | PKM (0.32) | — | |
| SCHEMBL253464 | 0.49 | NPC1 (0.32) | — | |
| SCHEMBL1902282 | 0.46 | — | — | |
| SCHEMBL9184931 | 0.46 | — | — |
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-20160016988-A1 | SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF | UNIV FLORIDA STATE RES FOUND (US) | 2016-01-21 | — | — | US | disclosed |
| US-20160016988-A1 | SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF | UNIV FLORIDA STATE RES FOUND (US) | 2016-01-21 | — | — | US | disclosed |