⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21631653 | 0.80 | — | — | |
| SCHEMBL16914477 | 0.80 | — | — | |
| SCHEMBL20385857 | 0.73 | USP2 (0.41) | — | |
| SCHEMBL20335660 | 0.70 | OTUD7B (0.36) | — | |
| SCHEMBL21855018 | 0.68 | TRPV1 (0.30) | — | |
| SCHEMBL23002557 | 0.66 | USP2 (0.45) | — | |
| SCHEMBL18330214 | 0.66 | USP2 (0.45) | — | |
| SCHEMBL16914257 | 0.66 | USP2 (0.45) | — | |
| SCHEMBL16914102 | 0.65 | NAMPT (0.33) | — | |
| SCHEMBL22799087 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240199609-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2024-06-20 | — | — | US | disclosed |
| US-11498930-B2 | Pyrimidine-fused cyclic compound, preparation method therefor and application thereof | Blueray Therapeutics (Shanghai) Co., Ltd (CN) | 2022-11-15 | — | — | US | disclosed |
| US-20210300919-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. | 2021-09-30 | — | — | US | disclosed |
| US-10934285-B2 | Compounds and compositions for inhibiting the activity of SHP2 | NOVARTIS AG (CH) | 2021-03-02 | — | — | US | disclosed |
| US-20210053989-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) | 2021-02-25 | — | — | US | disclosed |
| EP-3468972-B1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2020-05-20 | — | — | EP | disclosed |