⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21940875 | 1.00 | — | — | |
| SCHEMBL21940869 | 1.00 | — | — | |
| SCHEMBL2951642 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL17749000 | 0.87 | OPRM1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL19747840 | 0.87 | OPRM1 (0.34) | — | |
| SCHEMBL12457874 | 0.80 | — | — | |
| SCHEMBL7888522 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL19747200 | 0.78 | USP2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL3019514 | 0.78 | USP2 (0.34) | — | |
| SCHEMBL14679697 | 0.75 | — | — |
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 6 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 |
| US-11529347-B2 | SHP2 phosphatase inhibitors and methods of use thereof | RELAY THERAPEUTICS, INC. (US) | 2022-12-20 | — | — | US | disclosed |
| WO-2020081848-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2020-04-23 | — | — | WO | disclosed |
| US-20190307745-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2019-10-10 | — | — | US | disclosed |
| WO-2018081091-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. (US) | 2018-05-03 | — | — | WO | disclosed |
| WO-2018057884-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2018-03-29 | — | — | WO | disclosed |