⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19216313 | 0.81 | CCNB2 (0.31) | — | |
| SCHEMBL18708803 | 0.75 | CYP1A2 (0.34) | — | |
| SCHEMBL19513022 | 0.69 | MAPT (0.59) | — | |
| SCHEMBL16090164 | 0.69 | KDM4E (0.43) | — | |
| SCHEMBL20130427 | 0.66 | POLB (0.56) | — | |
| SCHEMBL14983681 | 0.65 | YTHDC1 (0.44) | — | |
| SCHEMBL22048110 | 0.64 | MEN1 (0.38) | — | |
| SCHEMBL20130428 | 0.63 | TLR8 (0.53) | — | |
| SCHEMBL16090155 | 0.63 | POLB (0.35) | — | |
| SCHEMBL19957830 | 0.62 | CRHR1 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3441392-B1 | A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION | INTELLIKINE LLC (US) | 2021-12-15 | — | — | EP | disclosed |
| EP-3613743-A1 | PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES | Intellikine, LLC (US) | 2020-02-26 | — | — | EP | disclosed |
| EP-3441392-A1 | A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION | Intellikine, LLC (US) | 2019-02-13 | — | — | EP | disclosed |
| EP-2240451-B1 | Isoquinolinone derivatives substituted with a purine useful as PI3K inhibitors | INTELLIKINE LLC (US) | 2017-08-09 | — | — | EP | disclosed |