⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12513622 | 0.74 | — | — | |
| SCHEMBL13797707 | 0.72 | — | — | |
| SCHEMBL15943364 | 0.69 | — | — | |
| SCHEMBL15782595 | 0.69 | — | — | |
| SCHEMBL11827601 | 0.66 | PTGS2 (0.49) | — | |
| SCHEMBL14488601 | 0.63 | — | — | |
| SCHEMBL2210464 | 0.61 | GAA (0.33) | — | |
| SCHEMBL298980 | 0.59 | — | — | |
| SCHEMBL3729631 | 0.58 | — | — | |
| SCHEMBL10896731 | 0.58 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170199188-A1 | METHOD OF PERFORMING ELECTROPOLYMERIZED ELECTROCHEMICALLY ACTIVE POLY-FILMS AS CURRENT SIGNAL TO DETECT BACTEREMIA | NATIONAL TSING HUA UNIVERSITY (TW) | 2017-07-13 | — | — | US | disclosed |
| WO-2016164401-A1 | TREATMENT OF LUNG CANCER WITH INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES, INC. (US) | 2016-10-13 | — | — | WO | disclosed |
| WO-2016160980-A1 | METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS | CALITHERA BIOSCIENCES, INC. (US) | 2016-10-06 | — | — | WO | disclosed |
| WO-2016014890-A1 | TREATMENT OF MULTIPLE MYELOMA WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES, INC. (US) | 2016-01-28 | — | — | WO | disclosed |
| WO-2015061432-A1 | TREATMENT OF VIRAL INFECTIONS WITH INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES, INC. (US) | 2015-04-30 | — | — | WO | disclosed |
| WO-2014089048-A1 | TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES, INC. (US) | 2014-06-12 | — | — | WO | disclosed |
| WO-2013078123-A1 | HETEROCYCLIC INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES INC. (US) | 2013-05-30 | — | — | WO | disclosed |