⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13392977 | 1.00 | — | — | |
| SCHEMBL20848266 | 0.91 | DNM1 (0.40) | — | |
| SCHEMBL107516 | 0.79 | — | — | |
| SCHEMBL107517 | 0.79 | — | — | |
| SCHEMBL11326532 | 0.78 | SQLE (0.45) | — | |
| SCHEMBL2001111 | 0.77 | EP300 (0.46) | — | |
| SCHEMBL73316 | 0.77 | EP300 (0.46) | — | |
| SCHEMBL10754515 | 0.76 | — | — | |
| SCHEMBL8055124 | 0.76 | — | — | |
| SCHEMBL25571306 | 0.75 | SQLE (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021053507-A1 | 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN | ATEN PORUS LIFESCIENCES PVT. LTD. (IN) | 2021-03-25 | — | — | WO | disclosed |
| EP-3453393-A1 | NOVEL QUINAZOLINONE DERIVATIVES INHIBITING PI3K AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | Bioway., Inc (KR) | 2019-03-13 | — | — | EP | disclosed |
| EP-2973823-B1 | FUEL CELL SYSTEM WITH INTERCONNECT | LG FUEL CELL SYSTEMS INC (US) | 2018-04-11 | — | — | EP | disclosed |