⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL936261 | 0.73 | — | — | |
| SCHEMBL13233316 | 0.69 | — | — | |
| SCHEMBL15981255 | 0.67 | — | — | |
| SCHEMBL29115622 | 0.67 | — | — | |
| SCHEMBL27849244 | 0.67 | ALDH1A1 (0.53) | — | |
| SCHEMBL5268365 | 0.65 | — | — | |
| SCHEMBL14052658 | 0.65 | — | — | |
| SCHEMBL10403611 | 0.65 | — | — | |
| SCHEMBL2125754 | 0.63 | — | — | |
| SCHEMBL10404399 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015050989-A2 | MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | CS THERAPEUTICS INC. (US) | 2015-04-09 | — | — | WO | disclosed |