⚠ 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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL1330716 | 0.72 | — | — | |
| Succinic Acid SCHEMBL1331059 | 0.72 | — | — | |
| SCHEMBL9891048 | 0.67 | — | — | |
| Nitrilotriacetic Acid SCHEMBL31218367 | 0.67 | TDP1 (0.45) | — | |
| Malonic Acid SCHEMBL30876995 | 0.67 | — | — | |
| Adipic Acid SCHEMBL1332448 | 0.67 | — | — | |
| SCHEMBL12396668 | 0.65 | — | — | |
| Pimelic Acid SCHEMBL13875811 | 0.65 | — | — | |
| Propionic Acid SCHEMBL1331443 | 0.63 | — | — | |
| Propionic Acid SCHEMBL12466146 | 0.63 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116496516-A | Carboxymethylated crosslinked hyaluronic acid and preparation method and application thereof | 广州天赐高新材料股份有限公司 | 2023-07-28 | — | — | CN | disclosed |
| WO-2017210261-A1 | DEUTERATED FEVIPIPRANT | CONCERT PHARMACEUTICALS, INC. (US) | 2017-12-07 | — | — | WO | disclosed |
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| EP-2205570-B1 | 2-S-BENZYL SUBSTITUTED PYRIMIDINES AS CRTH2 ANTAGONISTS | ACTIMIS PHARMACEUTICALS INC (US) | 2013-09-11 | — | — | EP | disclosed |
| US-8324229-B2 | Alkylthio pyrimidines as CRTH2 antagonists | ACTIMIS PHARMACEUTICALS, INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-8314116-B2 | 2-S-benzyl substituted pyrimidines as CRTH2 antagonists | ACTIMIS PHARMACEUTICALS, INC. (US) | 2012-11-20 | — | — | US | disclosed |
| US-8314116-B2 | 2-S-benzyl substituted pyrimidines as CRTH2 antagonists | ACTIMIS PHARMACEUTICALS, INC. (US) | 2012-11-20 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |
| US-20100298361-A1 | Alkylthio Pyrimidines As CRTH2 Antagonists | GB005, INC. | 2010-11-25 | — | — | US | disclosed |
| CN-101874024-A | 2-S-benzyl substituted pyrimidines as CRTH2 antagonists | ACTIMIS PHARMACEUTICALS INC | 2010-10-27 | — | — | CN | disclosed |
| US-20100240685-A1 | 2-S-Benzyl Substituted Pyrimidines As CRTH2 Antagonists | GB005, INC. | 2010-09-23 | — | — | US | disclosed |
| US-20100240685-A1 | 2-S-Benzyl Substituted Pyrimidines As CRTH2 Antagonists | GB005, INC. | 2010-09-23 | — | — | US | disclosed |
| EP-2205570-A1 | 2-S-BENZYL SUBSTITUTED PYRIMIDINES AS CRTH2 ANTAGONISTS | Actimis Pharmaceuticals, Inc., (US) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009042139-A1 | 2-S-BENZYL SUBSTITUTED PYRIMIDINES AS CRTH2 ANTAGONISTS | ACTIMIS PHARMACEUTICALS, INC. (US) | 2009-04-02 | — | — | WO | disclosed |