⚠ 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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL16500554 | 0.79 | — | — | |
| Butyl Alcohol SCHEMBL16500553 | 0.79 | — | — | |
| Propanol SCHEMBL14133474 | 0.77 | — | — | |
| Propanol SCHEMBL30780171 | 0.77 | — | — | |
| SCHEMBL23014958 | 0.74 | LMNA (0.43) | — | |
| Cetyl Alcohol SCHEMBL17714271 | 0.74 | LMNA (0.43) | — | |
| Butyl Alcohol SCHEMBL13618453 | 0.72 | — | — | |
| Propanol SCHEMBL13430573 | 0.70 | — | — | |
| Alcohol SCHEMBL1332633 | 0.70 | — | — | |
| 1-Pentanol SCHEMBL1331982 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9907792-B2 | Acetic acid ester compound or salt thereof | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2018-03-06 | — | — | US | disclosed |
| EP-2810936-B1 | NOVEL ACETIC ACID ESTER COMPOUND OR SALT THEREOF | TAIHO PHARMACEUTICAL CO LTD (JP) | 2017-11-22 | — | — | EP | disclosed |
| US-20170042875-A1 | NOVEL ACETIC ACID ESTER COMPOUND OR SALT THEREOF | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2017-02-16 | — | — | US | disclosed |
| US-9505717-B2 | Acetic acid ester compound or salt thereof | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2016-11-29 | — | — | US | disclosed |
| US-20140371270-A1 | NOVEL ACETIC ACID ESTER COMPOUND OR SALT THEREOF | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2014-12-18 | — | — | US | disclosed |
| EP-2810936-A1 | NOVEL ACETIC ACID ESTER COMPOUND OR SALT THEREOF | Taiho Pharmaceutical Co., Ltd. (JP) | 2014-12-10 | — | — | EP | disclosed |
| US-20120065152-A1 | PRODRUGS OF GUANFACINE | SHIRE LLC (US) | 2012-03-15 | — | — | US | disclosed |