⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24587095 | 0.71 | ALOX5AP (0.31) | — | |
| SCHEMBL13917614 | 0.69 | ALOX5AP (0.35) | — | |
| SCHEMBL16904311 | 0.67 | HSD11B1 (0.40) | — | |
| SCHEMBL7569882 | 0.67 | — | — | |
| SCHEMBL1128193 | 0.67 | — | — | |
| SCHEMBL29642292 | 0.67 | — | — | |
| SCHEMBL8081901 | 0.67 | — | — | |
| SCHEMBL144395 | 0.67 | — | — | |
| SCHEMBL13967230 | 0.65 | HSD11B1 (0.32) | — | |
| SCHEMBL10945019 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023078231-A1 | SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS | INSILICO MEDICINE IP LIMITED (CN) | 2023-05-11 | — | — | WO | disclosed |
| US-9663472-B2 | Pyrazole compound | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2017-05-30 | — | — | US | disclosed |
| US-6762268-B2 | RADIATION TRANSPARENT, SENSITIVITY, CHEMICAL RESISTANCE | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2004-07-13 | — | — | US | disclosed |
| US-20030004289-A1 | Acetal group containing norbornene copolymer for photoresist, method for producing the same and photoresist composition containing the same | SAMSUNG ELECTRONICS CO., LTD. | 2003-01-02 | — | — | US | disclosed |