⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5591611 | 0.79 | ALDH1A1 (0.67) | — | |
| SCHEMBL1980042 | 0.78 | ALDH1A1 (0.59) | — | |
| SCHEMBL9637503 | 0.77 | — | — | |
| SCHEMBL8359421 | 0.77 | — | — | |
| SCHEMBL7261150 | 0.77 | ALDH1A1 (0.58) | — | |
| SCHEMBL17830362 | 0.76 | — | — | |
| SCHEMBL191784 | 0.76 | — | — | |
| SCHEMBL11168067 | 0.76 | ALDH1A1 (0.63) | — | |
| SCHEMBL12011156 | 0.76 | — | — | |
| SCHEMBL22852563 | 0.75 | ALDH1A1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8183213-B2 | Combination therapy comprising glucose reabsorption inhibitors and retinoid-X receptor modulators | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2012-05-22 | — | — | US | disclosed |
| US-20090075864-A1 | COMBINATION THERAPY COMPRISING GLUCOSE REABSORPTION INHIBITORS AND RETINOID-X RECEPTOR MODULATORS | BUSSOLARI JACQUELINE C | 2009-03-19 | — | — | US | disclosed |
| EP-0132914-A2 | Imidazolinone derivatives as histamine H2-antagonists | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1985-02-13 | — | — | EP | disclosed |
| US-4088751-A | SHAVING CREAM, SHAMPOO, LOTION, 2-THIO-4-OXYPYRIMIDINE OR THIOHYDANTOIN AND HYDROGEN PEROXIDE, EXOTHERMIC REDOX REACTION | COLGATE-PALMOLIVE COMPANY (US) | 1978-05-09 | — | — | US | disclosed |