⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20128746 | 0.82 | — | — | |
| SCHEMBL13963782 | 0.80 | CYP1A2 (0.36) | — | |
| SCHEMBL29314527 | 0.79 | — | — | |
| SCHEMBL20365429 | 0.76 | — | — | |
| SCHEMBL19700565 | 0.73 | CYP1A2 (0.48) | — | |
| SCHEMBL13963779 | 0.73 | CYP1A2 (0.43) | — | |
| SCHEMBL20314555 | 0.72 | CYP4F2 (0.35) | — | |
| SCHEMBL20314556 | 0.72 | CYP4F2 (0.35) | — | |
| SCHEMBL20314559 | 0.72 | CYP4F2 (0.35) | — | |
| SCHEMBL21667813 | 0.71 | NCF1 (0.35) | — |
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-20180125821-A1 | TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE | ARVINAS OPERATIONS, INC. | 2018-05-10 | — | — | US | disclosed |