⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1162778 | 0.97 | ACHE (0.38) | — | |
| Hydrochloric Acid SCHEMBL1445914 | 0.97 | ACHE (0.38) | — | |
| Bromide SCHEMBL1446078 | 0.76 | CES2 (0.38) | — | |
| SCHEMBL6986820 | 0.74 | — | — | |
| SCHEMBL182562 | 0.74 | — | — | |
| SCHEMBL30769070 | 0.74 | — | — | |
| SCHEMBL4479531 | 0.74 | — | — | |
| Bromide SCHEMBL1445756 | 0.74 | CES2 (0.37) | — | |
| Hydrochloric Acid SCHEMBL11402787 | 0.72 | ACHE (0.36) | — | |
| SCHEMBL29352330 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107278205-A | Substituted nucleoside derivates as anticarcinogen | 辉瑞大药厂 | 2017-10-20 | — | — | CN | disclosed |
| CN-100443458-C | Stereoselective synthesis of a 4,4-disubstituted cyclohexanepropanoic acid | MERCK SHARP & DOHME (GB) | 2008-12-17 | — | — | CN | disclosed |
| US-7411088-B2 | Stereoselective synthesis of a 4,4-disubstituted cyclohexanepropanoic acid | MERCK & CO., INC. (US) | 2008-08-12 | — | — | US | disclosed |
| US-20070225520-A1 | Stereoselective Synthesis of a 4,4-Disubstituted Cyclohexanepropanoic Acid | MERCK SHARP & DOHME LLC | 2007-09-27 | — | — | US | disclosed |
| EP-1718593-B1 | STEREOSELECTIVE SYNTHESIS OF A 4,4-DISUBSTITUTED CYCLOHEXANEPROPANOIC ACID | MERCK SHARP & DOHME (GB) | 2007-07-25 | — | — | EP | disclosed |
| CN-1918106-A | Stereoselective synthesis of a 4,4-disubstituted cyclohexanepropanoic acid | MERCK SHARP & DOHME (GB) | 2007-02-21 | — | — | CN | disclosed |
| EP-1718593-A1 | STEREOSELECTIVE SYNTHESIS OF A 4,4-DISUBSTITUTED CYCLOHEXANEPROPANOIC ACID | MERCK SHARP & DOHME LTD. (GB) | 2006-11-08 | — | — | EP | disclosed |
| WO-2005080309-A1 | STEREOSELECTIVE SYNTHESIS OF A 4,4-DISUBSTITUTED CYCLOHEXANEPROPANOIC ACID | MERCK SHARP & DOHME LIMITED (GB) | 2005-09-01 | — | — | WO | disclosed |