⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6218142 | 0.95 | ALDH1A1 (0.59) | — | |
| SCHEMBL4697006 | 0.93 | ALDH1A1 (0.63) | — | |
| SCHEMBL13214851 | 0.90 | ALDH1A1 (0.46) | — | |
| SCHEMBL24489899 | 0.90 | ALDH1A1 (0.46) | — | |
| SCHEMBL21764406 | 0.90 | ALDH1A1 (0.46) | — | |
| SCHEMBL13255644 | 0.88 | SIGMAR1 (0.64) | — | |
| SCHEMBL20230977 | 0.86 | ALDH1A1 (0.55) | — | |
| SCHEMBL15043617 | 0.85 | ALDH1A1 (0.49) | — | |
| SCHEMBL15199219 | 0.84 | ALDH1A1 (0.53) | — | |
| SCHEMBL24597070 | 0.84 | SIGMAR1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023220541-A1 | TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS | MERCK PATENT GMBH (DE) | 2023-11-16 | — | — | WO | disclosed |
| US-9624166-B2 | Tetracycline compounds | TETRAPHASE PHARMACEUTICALS, INC. (US) | 2017-04-18 | — | — | US | disclosed |
| US-7544703-B2 | Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2009-06-09 | — | — | US | disclosed |
| US-7544703-B2 | Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2009-06-09 | — | — | US | disclosed |
| US-20070149574-A1 | Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2007-06-28 | — | — | US | disclosed |
| US-20070149574-A1 | Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2007-06-28 | — | — | US | disclosed |
| WO-2006038001-A1 | AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS | CELLTECH R & D LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |