⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9690464 | 0.72 | — | — | |
| SCHEMBL28935928 | 0.71 | — | — | |
| SCHEMBL30970936 | 0.69 | — | — | |
| SCHEMBL1243651 | 0.69 | — | — | |
| SCHEMBL1040739 | 0.67 | — | — | |
| SCHEMBL7764618 | 0.67 | — | — | |
| SCHEMBL21811939 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL11318584 | 0.64 | — | — | |
| Hydrogen Sulfide SCHEMBL11057436 | 0.64 | — | — | |
| SCHEMBL3613858 | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1333023-B1 | Immunogens, antibodies and conjugates to ketamine and its metabolites | RANDOX LAB LTD (GB) | 2010-12-22 | — | — | EP | disclosed |
| US-20090280499-A1 | METHOD AND KIT FOR DETECTING, OR DETERMINING 3,4- METHYLENEDIOXYMETHAMPHETAMINE | RANDOX LABORATORIES LIMITED (GB) | 2009-11-12 | — | — | US | disclosed |
| CN-100519513-C | Chloramineone and haptene, immuongen, antibody and coupler of its metabolite | RANDOX LAB LTD (GB) | 2009-07-29 | — | — | CN | disclosed |
| EP-1321772-B1 | Method and kit for detecting, or determining, 3,4-methylenedioxymethamphetamine | RANDOX LAB LTD (GB) | 2008-09-17 | — | — | EP | disclosed |
| US-7371829-B2 | Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites | RANDOX LABORATORIES LIMITED (GB) | 2008-05-13 | — | — | US | disclosed |
| US-7217802-B2 | Method and kit for detecting, or determining, 3,4-methylenedioxymethamphetamine | RANDOX LABORATORIES LIMITED (IE) | 2007-05-15 | — | — | US | disclosed |
| CN-1281626-C | Method and reagent kit for detecting and measuring 3,4-methylene methedrine (MDMA) | LANDOX LAB LTD (GB) | 2006-10-25 | — | — | CN | disclosed |
| US-20040121400-A1 | Method and kit for detecting, or determining, 3,4-methylenedioxymethamphetamine | NORTHERN BANK LIMITED (IE) | 2004-06-24 | — | — | US | disclosed |
| CN-1496974-A | Chloramineone and haptene, immuongen, antibody and coupler of its metabolite | ʵ | 2004-05-19 | — | — | CN | disclosed |
| US-20030224447-A1 | Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites | RANDOX LABORATORIES LIMITED | 2003-12-04 | — | — | US | disclosed |
| EP-1333023-A1 | Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites | Randox Laboratories Ltd. (GB) | 2003-08-06 | — | — | EP | disclosed |
| CN-1429844-A | Method and reagent kit for detecting and measuring 3,4-methylene methedrine (MDMA) | RANDOX LAB LTD (GB) | 2003-07-16 | — | — | CN | disclosed |
| EP-1321772-A1 | Method and kit for detecting, or determining, 3,4-methylenedioxymethamphetamine | Randox Laboratories Ltd. (GB) | 2003-06-25 | — | — | EP | disclosed |