⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14922268 | 0.73 | — | — | |
| SCHEMBL25222126 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL14922354 | 0.73 | — | — | |
| SCHEMBL19248485 | 0.72 | PRSS1 (0.38) | — | |
| SCHEMBL55477 | 0.72 | TDP1 (0.47) | — | |
| SCHEMBL19317567 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL8805707 | 0.71 | KMT2A (0.36) | — | |
| SCHEMBL12548279 | 0.67 | MEN1 (0.33) | — | |
| SCHEMBL17693418 | 0.66 | ALDH1A1 (0.49) | — | |
| SCHEMBL19261078 | 0.66 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150152123-A1 | Aluminum Metal Organic Framework Materials | U.S. DEPARTMENT OF ENERGY | 2015-06-04 | — | — | US | disclosed |