⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18677237 | 0.80 | F7 (0.31) | — | |
| SCHEMBL18365334 | 0.78 | P2RY6 (0.39) | — | |
| SCHEMBL19275375 | 0.77 | HDAC1 (0.35) | — | |
| SCHEMBL15159890 | 0.74 | KMT2A (0.30) | — | |
| SCHEMBL22560323 | 0.72 | P2RY6 (0.54) | — | |
| SCHEMBL18365336 | 0.72 | — | — | |
| SCHEMBL16491631 | 0.72 | USP2 (0.34) | — | |
| SCHEMBL18441261 | 0.67 | KMT2A (0.31) | — | |
| SCHEMBL16518794 | 0.66 | TSHR (0.34) | — | |
| SCHEMBL17085474 | 0.66 | FOLH1 (0.49) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170087258-A1 | TCO CONJUGATES AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK | 2017-03-30 | — | — | US | disclosed |