⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9004988 | 0.84 | OPRK1 (0.30) | — | |
| SCHEMBL19779544 | 0.84 | OPRK1 (0.30) | — | |
| SCHEMBL19879498 | 0.84 | OPRK1 (0.30) | — | |
| SCHEMBL19768960 | 0.84 | OPRK1 (0.30) | — | |
| SCHEMBL19879501 | 0.84 | OPRK1 (0.30) | — | |
| SCHEMBL25854984 | 0.84 | OPRK1 (0.30) | — | |
| SCHEMBL19768934 | 0.84 | OPRK1 (0.30) | — | |
| SCHEMBL21150912 | 0.82 | GAA (0.33) | — | |
| SCHEMBL20206063 | 0.78 | DPP4 (0.33) | — | |
| SCHEMBL25147438 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11529347-B2 | SHP2 phosphatase inhibitors and methods of use thereof | RELAY THERAPEUTICS, INC. (US) | 2022-12-20 | — | — | US | disclosed |
| US-20190307745-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2019-10-10 | — | — | US | disclosed |