⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20287488 | 1.00 | — | — | |
| SCHEMBL27310993 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL24173335 | 0.80 | — | — | |
| SCHEMBL12663332 | 0.78 | — | — | |
| SCHEMBL19688312 | 0.78 | — | — | |
| SCHEMBL12186542 | 0.76 | — | — | |
| SCHEMBL22738297 | 0.76 | — | — | |
| SCHEMBL10256603 | 0.76 | — | — | |
| SCHEMBL19390494 | 0.74 | — | — | |
| SCHEMBL13116639 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10167303-B2 | Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex | UDC IRELAND LIMITED (IE) | 2019-01-01 | — | — | US | disclosed |
| US-20180065989-A1 | Broad Spectrum Beta-Lactamase Inhibitors | GLADIUS PHARMACEUTICALS CORPORATION (CA) | 2018-03-08 | — | — | US | disclosed |
| US-20170275271-A1 | 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD | TAKEDA CALIFORNIA, INC. | 2017-09-28 | — | — | US | disclosed |
| US-9708296-B2 | 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-07-18 | — | — | US | disclosed |
| US-20170044194-A1 | Metal Complexes with Dibenzo[f,h]quinoxalines | UDC IRELAND LTD (IE) | 2017-02-16 | — | — | US | disclosed |