⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19822922 | 0.79 | — | — | |
| SCHEMBL20080734 | 0.79 | — | — | |
| SCHEMBL24405745 | 0.79 | — | — | |
| SCHEMBL21023360 | 0.78 | — | — | |
| SCHEMBL13810337 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL20000446 | 0.74 | — | — | |
| SCHEMBL22926663 | 0.70 | TDP1 (0.32) | — | |
| SCHEMBL17472285 | 0.69 | — | — | |
| SCHEMBL20176797 | 0.67 | — | — | |
| SCHEMBL19073216 | 0.67 | TDP1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018089433-A1 | PHENYL mTORC INHIBITORS AND USES THEREOF | NAVITOR PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |
| EP-2094692-B1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF | BRISTOL MYERS SQUIBB CO (US) | 2012-11-28 | — | — | EP | disclosed |