⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6023367 | 0.82 | TSHR (0.44) | — | |
| SCHEMBL249257 | 0.81 | SCN5A (0.47) | — | |
| SCHEMBL249258 | 0.81 | SCN5A (0.47) | — | |
| SCHEMBL3435870 | 0.80 | MEN1 (0.48) | — | |
| SCHEMBL3435521 | 0.80 | MEN1 (0.48) | — | |
| SCHEMBL249390 | 0.80 | MEN1 (0.48) | — | |
| SCHEMBL11465498 | 0.79 | KDM4E (0.51) | — | |
| SCHEMBL3160639 | 0.79 | — | — | |
| SCHEMBL3635759 | 0.79 | NPC1 (0.53) | — | |
| SCHEMBL254256 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101715437-B | Stereoisomers propofol therapeutic compounds | PHARMACOFORE INC | 2013-06-12 | — | — | CN | disclosed |
| CN-101715437-A | Stereoisomers propofol therapeutic compounds | PHARMACOFORE INC | 2010-05-26 | — | — | CN | disclosed |
| CN-101687746-A | therapeutic compounds | PHARMACOFORE INC | 2010-03-31 | — | — | CN | disclosed |