⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29601 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28610204 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL11037230 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL11778482 | 0.89 | — | — | |
| Methane SCHEMBL16463501 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL11432293 | 0.89 | — | — | |
| SCHEMBL1776917 | 0.82 | — | — | |
| SCHEMBL992305 | 0.82 | ALPG (0.31) | — | |
| SCHEMBL277895 | 0.82 | ALPG (0.31) | — | |
| SCHEMBL29357 | 0.82 | ALPG (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113677350-B | ENPP1 inhibitors and methods of modulating immune responses | 里兰斯坦福初级大学理事会 | 2025-01-14 | — | — | CN | disclosed |