⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27522668 | 0.77 | — | — | |
| SCHEMBL4612501 | 0.75 | — | — | |
| SCHEMBL9052390 | 0.70 | — | — | |
| SCHEMBL6665503 | 0.70 | — | — | |
| SCHEMBL14130584 | 0.70 | — | — | |
| SCHEMBL5945065 | 0.69 | — | — | |
| SCHEMBL22204438 | 0.69 | — | — | |
| SCHEMBL29204000 | 0.68 | CA2 (0.33) | — | |
| SCHEMBL14130542 | 0.68 | EPHX1 (0.61) | — | |
| SCHEMBL11631752 | 0.68 | EPHX1 (0.61) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7569676-B2 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2009-08-04 | — | — | US | claimed |
| US-7569676-B2 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2009-08-04 | — | — | US | disclosed |
| EP-1498415-B1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | ROCHE DIAGNOSTICS GMBH (DE) | 2007-06-27 | — | — | EP | disclosed |
| US-7060847-B2 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2006-06-13 | — | — | US | disclosed |
| US-20050153439-A1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | GHOSHAL MITALI (US) | 2005-07-14 | — | — | US | disclosed |
| US-20050014210-A1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | ROCHE DIAGNOSTICS CORPORATION | 2005-01-20 | — | — | US | disclosed |
| EP-1498415-A1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | Roche Diagnostics GmbH (DE) | 2005-01-19 | — | — | EP | disclosed |