⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1983658 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL1453582 | 0.81 | TSHR (0.46) | — | |
| SCHEMBL17095072 | 0.79 | — | — | |
| SCHEMBL15648671 | 0.77 | BDKRB2 (0.36) | — | |
| SCHEMBL15648819 | 0.77 | BDKRB2 (0.36) | — | |
| SCHEMBL1452840 | 0.75 | HTT (0.38) | — | |
| SCHEMBL2721463 | 0.74 | CYP1A2 (0.39) | — | |
| SCHEMBL154543 | 0.74 | TP53 (0.37) | — | |
| SCHEMBL1096789 | 0.74 | HTR7 (0.41) | — | |
| SCHEMBL5787759 | 0.74 | MAPT (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6083926-A | AGENT COMPRISED OF VITAMIN B12 COVALENTLY COUPLED TO BIOTIN BY WATER-SOLUBLE LINKER | THE UNIVERSITY OF WASHINGTON (US) | 2000-07-04 | — | — | US | disclosed |
| US-5869465-A | BINDING TO CELL SURFACE RECEPTORS AND AFFECTING THEIR TRAFFICKING PATHWAY FOR THE TREATMENT AND DIAGNOSIS OF DISORDERS IN WARM-BLOODED ANIMALS | RECEPTAGEN CORPORATION (US) | 1999-02-09 | — | — | US | disclosed |
| US-5840712-A | TARGETS AND LINKERS | RECEPTAGEN CORPORATION (US) | 1998-11-24 | — | — | US | disclosed |
| US-5739287-A | BOUND ALSO TO A RECEPTOR MODULATING AGENT TO IMPEDE CELL SURFACE RECEPTOR TRAFFICKING PATHWAYS BY INHIBITING THE RECYCLING OF RECEPTORS TO THE CELL SURFACE; ANTITUMOR AND -CARCINOGENIC AGENTS; LEUKEMIA | UNIVERSITY OF WASHINGTON (US) | 1998-04-14 | — | — | US | disclosed |