⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15584206 | 1.00 | — | — | |
| SCHEMBL16520233 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL29753501 | 0.98 | — | — | |
| SCHEMBL4953443 | 0.81 | — | — | |
| SCHEMBL18019588 | 0.77 | THRB (0.32) | — | |
| SCHEMBL24177493 | 0.75 | — | — | |
| SCHEMBL25229192 | 0.75 | — | — | |
| SCHEMBL14737107 | 0.75 | — | — | |
| SCHEMBL19989139 | 0.75 | — | — | |
| SCHEMBL2222991 | 0.75 | — | — |
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-2018089269-A1 | NOVEL CLASS OF QUINOLONE HETEROCYCLIC AROMATIC MOLECULES FOR CANCER TREATMENT | RENOTARGET THERAPEUTICS INC. (US) | 2018-05-17 | — | — | WO | disclosed |