⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24150524 | 1.00 | — | — | |
| SCHEMBL29044493 | 1.00 | — | — | |
| SCHEMBL108955 | 1.00 | — | — | |
| SCHEMBL29044517 | 1.00 | — | — | |
| SCHEMBL21940867 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27555310 | 0.98 | GNAI3 (0.35) | — | |
| Hydrochloric Acid SCHEMBL1992978 | 0.98 | GNAI3 (0.35) | — | |
| Hydrochloric Acid SCHEMBL5324439 | 0.98 | GNAI3 (0.35) | — | |
| Acetic Acid SCHEMBL28653592 | 0.88 | SMYD3 (0.33) | — | |
| Formic Acid SCHEMBL28931254 | 0.88 | SMYD3 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3867238-B1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS | ARRAY BIOPHARMA INC (US) | 2023-06-07 | — | — | EP | disclosed |
| WO-2020081848-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2020-04-23 | — | — | WO | disclosed |