⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL241831 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL4666087 | 0.69 | — | — | |
| SCHEMBL8751242 | 0.67 | — | — | |
| SCHEMBL24074955 | 0.66 | — | — | |
| SCHEMBL6196973 | 0.65 | — | — | |
| SCHEMBL5293532 | 0.64 | — | — | |
| SCHEMBL5984701 | 0.64 | — | — | |
| SCHEMBL779251 | 0.64 | — | — | |
| SCHEMBL23617439 | 0.63 | — | — | |
| SCHEMBL241511 | 0.62 | KDM4E (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023167925-A1 | MEDIUM- OR MACRO-CYCLIC BENZYL-SUBSTITUTED HETEROCYCLE DERIVATIVES AND RELATED USES | OREXIA THERAPEUTICS LIMITED (GB) | 2023-09-07 | — | — | WO | disclosed |
| US-20230133119-A1 | ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2023-05-04 | — | — | US | disclosed |
| WO-2021189051-A1 | ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2021-09-23 | — | — | WO | disclosed |
| WO-2021055376-A1 | IL-17A MODULATORS AND USES THEREOF | DICE ALPHA, INC. (US) | 2021-03-25 | — | — | WO | disclosed |
| US-8772327-B2 | Phenylpropionic acid derivative and use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2014-07-08 | — | — | US | disclosed |
| US-20130131134-A1 | PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF | MORITA KOHEI (JP) | 2013-05-23 | — | — | US | disclosed |
| US-8334314-B2 | Phenylpropionic acid derivative and use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2012-12-18 | — | — | US | disclosed |
| US-20100093819-A1 | PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF | ASAHI KASEI PHARMA CORPORATION (JP) | 2010-04-15 | — | — | US | disclosed |