⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27492 | 0.98 | — | — | |
| SCHEMBL11470279 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL29243589 | 0.95 | — | — | |
| SCHEMBL2997593 | 0.93 | — | — | |
| SCHEMBL5530480 | 0.93 | — | — | |
| SCHEMBL6695674 | 0.90 | OPRD1 (0.47) | — | |
| SCHEMBL7244706 | 0.90 | SPHK2 (0.49) | — | |
| SCHEMBL11480291 | 0.90 | ALDH1A1 (0.54) | — | |
| SCHEMBL28627062 | 0.87 | — | — | |
| SCHEMBL6853109 | 0.86 | CCR3 (0.53) | — |
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-102863374-A | Synthetic methods and intermediates for stereoisomeric compounds useful for the treatment of gastrointestinal and central nervous system disorders | ARYX THERAPEUTICS | 2013-01-09 | — | — | CN | claimed |
| CN-101258151-B | Process for the synthesis of stereoisomeric compounds useful in the treatment of gastrointestinal and central nervous system disorders and intermediates | ARYX THERAPEUTICS INC | 2012-10-10 | — | — | CN | claimed |
| CN-116635380-A | PPARgamma modulators and methods of use | 卫材R&D管理有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-105339355-A | Novel CYP17 inhibitor/antiandrogen | ORION CORP | 2016-02-17 | — | — | CN | disclosed |
| CN-102863374-A | Synthetic methods and intermediates for stereoisomeric compounds useful for the treatment of gastrointestinal and central nervous system disorders | ARYX THERAPEUTICS | 2013-01-09 | — | — | CN | disclosed |
| EP-0309043-B1 | Novel substituted N-(1-alkyl-3-hydroxy-4-piperidinyl)benzamides | JANSSEN PHARMACEUTICA NV (BE) | 1994-11-09 | — | — | EP | disclosed |