⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL741045 | 0.67 | — | — | |
| SCHEMBL4303248 | 0.61 | PARP10 (0.47) | — | |
| SCHEMBL9235758 | 0.60 | PNMT (0.39) | — | |
| Bromide SCHEMBL2263979 | 0.59 | PNMT (0.72) | — | |
| Hydrochloric Acid SCHEMBL366688 | 0.59 | PNMT (0.95) | — | |
| SCHEMBL8870400 | 0.59 | — | — | |
| SCHEMBL5865385 | 0.59 | DRD2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL11181806 | 0.59 | PNMT (0.72) | — | |
| SCHEMBL13299219 | 0.59 | DRD2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5317536 | 0.58 | PNMT (0.91) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10744127-B2 | MDR-reversing 8-hydroxy-quinoline derivatives | MAGYAR TUDOMÁNYOS AKADÉMIA TERMÉSZETTUDOMÁNYI KUTATÓKÖZPONT (HU) | 2020-08-18 | — | — | US | disclosed |
| US-20190151306-A1 | MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES | MAGYAR TUDOMÁNYOS AKADÉMIA TERMÉSZETTUDOMÁNYI KUTATÓKÖZPONT (HU) | 2019-05-23 | — | — | US | disclosed |