⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28025714 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9096252 | 0.78 | QPCT (0.34) | — | |
| SCHEMBL170781 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL28070320 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL11067549 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL4270836 | 0.74 | NFKB1 (0.33) | — | |
| SCHEMBL27554657 | 0.73 | MAPT (0.66) | — | |
| SCHEMBL9113432 | 0.73 | — | — | |
| SCHEMBL3915521 | 0.71 | — | — | |
| SCHEMBL28800558 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114025844-B | Protein tyrosine phosphatase inhibitors and methods of use thereof | 卡里科生命科学有限责任公司 | 2022-07-26 | — | — | CN | disclosed |
| CN-114025844-A | Protein tyrosine phosphatase inhibitors and methods of use thereof | 卡里科生命科学有限责任公司 | 2022-02-08 | — | — | CN | disclosed |