⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7858273 | 0.65 | — | — | |
| SCHEMBL4992008 | 0.61 | — | — | |
| SCHEMBL1900371 | 0.59 | — | — | |
| SCHEMBL12693393 | 0.53 | — | — | |
| SCHEMBL27518133 | 0.53 | — | — | |
| SCHEMBL6581556 | 0.52 | — | — | |
| SCHEMBL2895522 | 0.51 | — | — | |
| SCHEMBL27763053 | 0.51 | — | — | |
| SCHEMBL696010 | 0.41 | — | — | |
| SCHEMBL18823089 | 0.37 | NPC1 (0.37) | — |
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-104788479-B | N-pyrimidine-cantharidin amic acid lanthanum (III) complex and preparation method thereof | SHEN DAN (CN) | 2016-05-04 | — | — | CN | claimed |
| CN-104788479-B | N-pyrimidine-cantharidin amic acid lanthanum (III) complex and preparation method thereof | SHEN DAN (CN) | 2016-05-04 | — | — | CN | disclosed |