⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22049608 | 1.00 | — | — | |
| SCHEMBL22049963 | 0.83 | — | — | |
| SCHEMBL23074996 | 0.79 | — | — | |
| SCHEMBL16071978 | 0.79 | FUCA1 (0.34) | — | |
| SCHEMBL2689148 | 0.78 | — | — | |
| SCHEMBL20411910 | 0.77 | — | — | |
| SCHEMBL17379103 | 0.77 | — | — | |
| SCHEMBL17379575 | 0.77 | — | — | |
| SCHEMBL20411928 | 0.77 | — | — | |
| SCHEMBL3840383 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200172546-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. | 2020-06-04 | — | — | US | disclosed |
| US-20040186261-A1 | Rheological adjuncts, method for production and use thereof | BASF COATINGS AKTIENGESELLSCHAFT (DE) | 2004-09-23 | — | — | US | disclosed |
| EP-1417268-A1 | RHEOLOGICAL ADJUNCTS, METHOD FOR PRODUCTION AND USE THEREOF | BASF Coatings Aktiengesellschaft (DE) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003014233-A1 | RHEOLOGICAL ADJUNCTS, METHOD FOR PRODUCTION AND USE THEREOF | BASF COATINGS AG (DE) | 2003-02-20 | — | — | WO | disclosed |