⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36 | 0.71 | — | — | |
| Hydroxyl Radical SCHEMBL4416166 | 0.61 | — | — | |
| Fluoride SCHEMBL972649 | 0.61 | — | — | |
| SCHEMBL23851326 | 0.61 | — | — | |
| Ethylene SCHEMBL5821458 | 0.55 | — | — | |
| Ethylene SCHEMBL5668825 | 0.55 | — | — | |
| Formaldehyde SCHEMBL2160216 | 0.50 | — | — | |
| SCHEMBL17616039 | 0.50 | — | — | |
| SCHEMBL7042986 | 0.50 | — | — | |
| SCHEMBL10738879 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116134035-A | 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors | 詹森药业有限公司 | 2023-05-16 | — | — | CN | disclosed |
| WO-2022262838-A1 | DEUTERATED COMPOUNDS USEFUL AS KRAS G12D INHIBITORS | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2022-12-22 | — | — | WO | disclosed |
| EP-3768661-A1 | DEUTERATED COMPOUNDS AS ROCK INHIBITORS | Fochon Pharmaceuticals, Ltd. (CN) | 2021-01-27 | — | — | EP | disclosed |
| WO-2019179525-A1 | DEUTERATED COMPOUNDS AS ROCK INHIBITORS | FOCHON PHARMACEUTICALS, LTD. (CN) | 2019-09-26 | — | — | WO | disclosed |
| EP-0792146-A1 | INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES | HEMASURE, INC. (US) | 1997-09-03 | — | — | EP | disclosed |
| WO-1997002028-A1 | INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES | HEMASURE, INC. (US) | 1997-01-23 | — | — | WO | disclosed |