⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21662988 | 0.81 | — | — | |
| SCHEMBL31369268 | 0.78 | NPC1 (0.41) | — | |
| SCHEMBL31329552 | 0.75 | — | — | |
| SCHEMBL15198303 | 0.75 | — | — | |
| SCHEMBL28815447 | 0.75 | — | — | |
| SCHEMBL6264687 | 0.75 | — | — | |
| SCHEMBL16151463 | 0.75 | — | — | |
| SCHEMBL21006006 | 0.75 | — | — | |
| SCHEMBL7199479 | 0.75 | — | — | |
| SCHEMBL10232349 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105358248-A | Synthesis of ent-progesterone and intermediates thereof | UNIV FLORIDA STATE RES FOUND | 2016-02-24 | — | — | CN | disclosed |
| JP-2003082487-A | METHOD FOR PRODUCING CYCLOHEXANONE DERIVATIVE HAVING SUBSTITUENT | OSAKA ORGANIC CHEM IND LTD | 2003-03-19 | — | — | JP | disclosed |