⚠ 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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL782125 | 0.87 | — | — | |
| Malonic Acid SCHEMBL3608474 | 0.87 | — | — | |
| Malonic Acid SCHEMBL23831 | 0.87 | LDHA (1.00) | — | |
| Malonic Acid SCHEMBL336 | 0.87 | — | — | |
| Malonic Acid SCHEMBL28221810 | 0.87 | LDHA (1.00) | — | |
| Malonic Acid SCHEMBL1332587 | 0.87 | — | — | |
| Malonic Acid SCHEMBL1332554 | 0.87 | — | — | |
| Malonic Acid SCHEMBL3358611 | 0.87 | — | — | |
| Malonic Acid SCHEMBL1332405 | 0.87 | — | — | |
| Malonic Acid SCHEMBL3258280 | 0.85 | LDHA (0.64) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112442031-B | Pyridinopyrimidine derivatives as KRASG12C mutant protein inhibitors | 勤浩医药（苏州）有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-113121530-A | Pyridinopyrimidine derivatives as KRASG12C mutant protein inhibitors | 南京明德新药研发有限公司 | 2021-07-16 | — | — | CN | disclosed |
| CN-112442031-A | Pyridinopyrimidine derivatives as KRASG12C mutant protein inhibitors | 南京明德新药研发有限公司 | 2021-03-05 | — | — | CN | disclosed |
| CN-111630053-A | Pyridinopyrimidine derivatives as KRASG12C mutant protein inhibitors | 南京明德新药研发有限公司 | 2020-09-04 | — | — | CN | disclosed |
| CN-111148740-A | Compounds useful as autophagy modulators and methods of making and using the same | 微境生物医药科技(上海)有限公司 | 2020-05-12 | — | — | CN | disclosed |
| CN-1170827-C | Benzofurylpyrone derivatives | ������������ʽ���� | 2004-10-13 | — | — | CN | disclosed |
| US-6699976-B2 | COVERING REGION OF FROM 500 TO 580 NM AND PARTICULARLY EXCELLENT IN INITIAL POLARIZATION ABILITY | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-03-02 | — | — | US | disclosed |
| US-20030098447-A1 | Polyazo compound or salt thereof and dye-based polarization film containing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-05-29 | — | — | US | disclosed |
| CN-1299359-A | Benzofurylpyrone derivatives | TEIJIN LTD (JP) | 2001-06-13 | — | — | CN | disclosed |