⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7273260 | 0.84 | CPB2 (0.31) | — | |
| SCHEMBL8189733 | 0.82 | TDP1 (0.34) | — | |
| SCHEMBL18788520 | 0.81 | — | — | |
| SCHEMBL4891567 | 0.80 | TDP1 (0.33) | — | |
| SCHEMBL6833631 | 0.80 | TDP1 (0.33) | — | |
| SCHEMBL7267095 | 0.76 | POLB (0.45) | — | |
| SCHEMBL18220952 | 0.74 | POLB (0.37) | — | |
| SCHEMBL21694902 | 0.74 | DNMT1 (0.33) | — | |
| Imidazole SCHEMBL4579994 | 0.74 | — | — | |
| SCHEMBL7327907 | 0.73 | MMP13 (0.36) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7132295-B2 | Isotopically coded affinity markers 3 | BAYER AKTIENGESELLSCHAFT (DE) | 2006-11-07 | — | — | US | disclosed |
| US-20050049406-A1 | Isotopically coded affinity markers 3 | BAYER AKTIENGESELLSCHAFT (DE) | 2005-03-03 | — | — | US | disclosed |
| US-20050037423-A1 | Isotopycally coded affinity marker 2 | BAYER HEALTHCARE AG (DE) | 2005-02-17 | — | — | US | disclosed |
| EP-1448996-A2 | ISOTOPICALLY CODED AFFINITY MARKER 2 | Bayer HealthCare AG (DE) | 2004-08-25 | — | — | EP | disclosed |
| EP-1446665-A2 | ISOTOPICALLY CODED AFFINITY MARKERS 3 | Bayer HealthCare AG (DE) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003040288-A2 | ISOTOPICALLY CODED AFFINITY MARKERS 3 | BAYER HEALTHCARE AG (DE) | 2003-05-15 | — | — | WO | disclosed |
| WO-2003040093-A2 | ISOTOPICALLY CODED AFFINITY MARKER 2 | BAYER HEALTHCARE AG (DE) | 2003-05-15 | — | — | WO | disclosed |
| EP-0169812-B1 | PHOSPHATIDYL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE | CIBA-GEIGY AG (CH) | 1989-08-23 | — | — | EP | disclosed |
| EP-0169812-A1 | Phosphatidyl compounds, process for their preparation and their use | CIBA-GEIGY AG (CH) | 1986-01-29 | — | — | EP | disclosed |