⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28498364 | 0.97 | — | — | |
| SCHEMBL11781921 | 0.78 | TSHR (0.55) | — | |
| SCHEMBL6751562 | 0.76 | — | — | |
| SCHEMBL11659865 | 0.76 | — | — | |
| SCHEMBL28427630 | 0.75 | TSHR (0.46) | — | |
| Hydrochloric Acid SCHEMBL27653632 | 0.74 | — | — | |
| SCHEMBL10499840 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL6785363 | 0.74 | — | — | |
| SCHEMBL27520159 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL9322609 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101421268-B | As the pyrazolo quinolone of effective PARP inhibitor | ABBVIE (US) | 2016-01-06 | — | — | CN | disclosed |
| CN-102753550-B | Heteroaromatic aryl triazole derivatives as pde10a enzyme inhibitors | LUNDBECK & CO AS H | 2015-03-25 | — | — | CN | disclosed |
| CN-101027286-B | Indazolone derivatives as 11b-HSD1 inhibitors | HOFFMANN LA ROCHE | 2011-05-25 | — | — | CN | disclosed |
| CN-101421268-A | Pyrazoloquinolones as potent PARP inhibitors | ABBOTT LAB (US) | 2009-04-29 | — | — | CN | disclosed |
| CN-101027286-A | Indazolone derivatives as 11 b-HSD 1 inhibitors | HOFFMANN LA ROCHE (CH) | 2007-08-29 | — | — | CN | disclosed |
| EP-0005051-B1 | 4-DESACETYL VLB C-3 CARBOXHYDRAZIDES, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 1982-12-01 | — | — | EP | disclosed |