⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9945693 | 1.00 | — | — | |
| SCHEMBL27298551 | 0.82 | — | — | |
| SCHEMBL8773006 | 0.80 | — | — | |
| Hexan-3-Ol SCHEMBL15033 | 0.80 | — | — | |
| Hexan-3-Ol SCHEMBL1462441 | 0.80 | — | — | |
| Hexan-3-Ol SCHEMBL464395 | 0.80 | — | — | |
| Hexan-3-Ol SCHEMBL11796163 | 0.80 | LMNA (0.43) | — | |
| SCHEMBL10290649 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL22249 | 0.79 | — | — | |
| SCHEMBL27454228 | 0.79 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025026266-A1 | COMPOUND AS LPAR1 ANTAGONIST, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 武汉朗来科技发展有限公司 | 2025-02-06 | — | — | WO | disclosed |
| US-20230047178-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | APRINOIA THERAPEUTICS INC. (CN) | 2023-02-16 | — | — | US | disclosed |
| CN-105431430-A | Bace1 inhibitors | HOFFMANN LA ROCHE | 2016-03-23 | — | — | CN | disclosed |
| CN-104968660-A | Fluoro-[1,3]oxazines as BACE1 inhibitors | HOFFMANN LA ROCHE | 2015-10-07 | — | — | CN | disclosed |
| US-9133143-B2 | (3-fluoro-2-hydroxy)propyl-functionalized aryl derivatives or pharmaceutically acceptable salts thereof, method for preparing same, and pharmaceutical composition containing same as active ingredient for the diagnosis or treatment of neurodegenerative brain diseases | FUTURECHEM CO., LTD. (KR) | 2015-09-15 | — | — | US | disclosed |
| US-20120214994-A1 | (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES | FUTURECHEM CO., LTD. (KR) | 2012-08-23 | — | — | US | disclosed |
| US-20120149683-A1 | SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES | MERCK SHARP & DOHME LLC | 2012-06-14 | — | — | US | disclosed |