⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5494136 | 0.68 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL4461485 | 0.66 | CYP2C19 (0.42) | — | |
| Hydrochloric Acid SCHEMBL28338549 | 0.66 | CYP2C19 (0.42) | — | |
| SCHEMBL208167 | 0.66 | CYP2C19 (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL9108711 | 0.63 | CYP2C19 (0.40) | — | |
| SCHEMBL10749636 | 0.63 | CYP2C19 (0.46) | — | |
| SCHEMBL19326635 | 0.63 | CYP2C19 (0.46) | — | |
| SCHEMBL19326636 | 0.63 | CYP2C19 (0.46) | — | |
| SCHEMBL16819028 | 0.63 | CYP2C19 (0.46) | — | |
| SCHEMBL19326637 | 0.63 | CYP2C19 (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1548027-B1 | COMPOUND BINDING TO LEUKOCYTES AND MEDICINAL COMPOSITION CONTAINING THE COMPOUND IN LABELED STATE AS THE ACTIVE INGREDIENT | NIHON MEDIPHYSICS CO LTD (JP) | 2008-01-02 | — | — | EP | disclosed |
| US-7220827-B2 | Compound binding to leukocytes and medicinal composition containing the compound in labeled state as the active ingredient | NIHON MEDI-PHYSICS CO., LTD. (JP) | 2007-05-22 | — | — | US | disclosed |
| US-20060057064-A1 | Compound binding to leukocytes and medicinal composition containing the compound in labeled state as the active ingredient | NIHON MEDI-PHYSICS CO., LTD. (JP) | 2006-03-16 | — | — | US | disclosed |
| CN-1684973-A | Compound binding to leukocytes and medicinal composition containing the compound in labeled state as the active ingredient | NIHON MEDIPHYSICS CO LTD (JP) | 2005-10-19 | — | — | CN | disclosed |
| EP-1548027-A1 | COMPOUND BINDING TO LEUKOCYTES AND MEDICINAL COMPOSITION CONTAINING THE COMPOUND IN LABELED STATE AS THE ACTIVE INGREDIENT | Nihon Medi-Physics Co., Ltd. (JP) | 2005-06-29 | — | — | EP | disclosed |