⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15364382 | 0.78 | — | — | |
| SCHEMBL11848951 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL14898559 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL29489534 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL4558374 | 0.73 | — | — | |
| SCHEMBL8507429 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL8507425 | 0.71 | ALDH1A1 (0.39) | — | |
| Oxalic Acid SCHEMBL28766966 | 0.69 | ALDH1A1 (0.77) | — | |
| SCHEMBL23716686 | 0.67 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL10878320 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8431611-B2 | Artemisinin derivatives | JOHNS HOPKINS UNIVERSITY (US) | 2013-04-30 | — | — | US | disclosed |
| US-20070142472-A1 | Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2007-06-21 | — | — | US | disclosed |
| US-20070142472-A1 | Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2007-06-21 | — | — | US | disclosed |