⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3693860 | 0.80 | TP53 (0.35) | — | |
| SCHEMBL28096856 | 0.77 | TP53 (0.33) | — | |
| SCHEMBL3709541 | 0.75 | TP53 (0.33) | — | |
| SCHEMBL11037120 | 0.69 | CA1 (0.30) | — | |
| Propane SCHEMBL25367882 | 0.69 | TP53 (0.34) | — | |
| SCHEMBL7064820 | 0.69 | TP53 (0.30) | — | |
| SCHEMBL6776437 | 0.68 | — | — | |
| SCHEMBL6843362 | 0.68 | TP53 (0.32) | — | |
| SCHEMBL6776795 | 0.66 | — | — | |
| SCHEMBL3693856 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106061490-A | Method and composition for treating and preventing symptoms or signs of ocular diseases | 列奥尼达斯·A·约翰逊 | 2016-10-26 | — | — | CN | disclosed |