⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4948313 | 0.69 | NSD2 (0.33) | — | |
| SCHEMBL29118959 | 0.66 | HTR2A (0.36) | — | |
| SCHEMBL5605021 | 0.66 | RAB9A (0.35) | — | |
| Hydrochloric Acid SCHEMBL29118961 | 0.65 | HTR2A (0.35) | — | |
| SCHEMBL9017448 | 0.61 | MAPT (0.33) | — | |
| Pyrene SCHEMBL5678493 | 0.59 | ALDH1A1 (0.41) | — | |
| SCHEMBL5749715 | 0.57 | KDM4E (0.41) | — | |
| SCHEMBL27449536 | 0.57 | CYP3A4 (0.34) | — | |
| Pyrene SCHEMBL8619915 | 0.57 | ALDH1A1 (0.73) | — | |
| SCHEMBL5748017 | 0.56 | PARP1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1166106-B1 | REAGENT AND METHOD FOR DETECTING AN ADULTERANT IN AN AQUEOUS SAMPLE | QUEST DIAGNOSTICS INVEST INC (US) | 2008-07-16 | — | — | EP | disclosed |
| EP-1166106-A4 | REAGENT AND METHOD FOR DETECTING AN ADULTERANT IN AN AQUEOUS SAMPLE | QUEST DIAGNOSTICS INVEST INC (US) | 2003-05-14 | — | — | EP | disclosed |
| EP-1166106-A1 | REAGENT AND METHOD FOR DETECTING AN ADULTERANT IN AN AQUEOUS SAMPLE | Quest Diagnostics Investments Incorporated (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000052464-A1 | REAGENT AND METHOD FOR DETECTING AN ADULTERANT IN AN AQUEOUS SAMPLE | QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) | 2000-09-08 | — | — | WO | disclosed |