⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18525805 | 0.90 | MAPT (0.33) | — | |
| SCHEMBL18526246 | 0.89 | IP6K1 (0.34) | — | |
| SCHEMBL18525782 | 0.83 | IP6K1 (0.30) | — | |
| SCHEMBL18526245 | 0.82 | IP6K1 (0.35) | — | |
| SCHEMBL18525807 | 0.77 | — | — | |
| SCHEMBL18525808 | 0.77 | — | — | |
| SCHEMBL18365336 | 0.73 | — | — | |
| SCHEMBL18526227 | 0.72 | SERPINE1 (0.35) | — | |
| SCHEMBL18526249 | 0.72 | HDAC4 (0.32) | — | |
| SCHEMBL18525803 | 0.72 | KDM1A (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-20170045501-A1 | AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS | HOWARD HUGHES MEDICAL INSTITUTE | 2017-02-16 | — | — | US | disclosed |