⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2059912 | 0.74 | — | — | |
| Histidine SCHEMBL2511224 | 0.71 | CYP2C19 (0.43) | — | |
| Histidine SCHEMBL2521479 | 0.71 | CYP2C19 (0.43) | — | |
| Histidine SCHEMBL2516103 | 0.71 | CYP2C19 (0.43) | — | |
| Histidine SCHEMBL2521478 | 0.71 | CYP2C19 (0.43) | — | |
| Histidine SCHEMBL2511226 | 0.71 | CYP2C19 (0.43) | — | |
| Histidine SCHEMBL27700222 | 0.71 | SLC7A5 (0.41) | — | |
| Histidine SCHEMBL2516101 | 0.71 | CYP2C19 (0.43) | — | |
| SCHEMBL29475858 | 0.68 | CYP3A4 (0.33) | — | |
| Histidine SCHEMBL8161511 | 0.68 | CYP3A4 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5817617-A | INHIBIT ADHESION OF LEUKOCYTES TO ENDOTHELIA AND EPITHELIA | THE ROCKEFELLER UNIVERSITY (US) | 1998-10-06 | — | — | US | disclosed |
| EP-0668871-A1 | AMINO-ACID SEQUENCE HOMOLOGIES BETWEEN SELECTINS AND B. PERTUSSIS TOXIN-PEPTIDESDERIVED THERFROM, ANTIBODIES THERETO AND PHARMACEUTICAL COMPOSITIONS | THE ROCKEFELLER UNIVERSITY (US) | 1995-08-30 | — | — | EP | disclosed |
| WO-1992019646-A1 | ANALOG OF ENDOTHELIAL LEUKOCYTE ADHESION MOLECULE (ELAM) | THE ROCKEFELLER UNIVERSITY (US) | 1992-11-12 | — | — | WO | disclosed |