⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8494551 | 1.00 | — | — | |
| SCHEMBL7762908 | 0.82 | — | — | |
| SCHEMBL19362272 | 0.82 | — | — | |
| SCHEMBL23948105 | 0.82 | — | — | |
| SCHEMBL2514474 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL105238 | 0.77 | — | — | |
| SCHEMBL25563971 | 0.75 | PIK3CD (0.45) | — | |
| SCHEMBL3009232 | 0.75 | — | — | |
| SCHEMBL10945633 | 0.75 | LMNA (0.37) | — | |
| Hydrochloric Acid SCHEMBL27462561 | 0.74 | ALDH1A1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10662177-B2 | Blocking toll-like receptor 9 signaling with small molecule antagonist | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2020-05-26 | — | — | US | disclosed |
| US-20190092758-A1 | BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2019-03-28 | — | — | US | disclosed |