⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2856423 | 0.81 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL2859567 | 0.81 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL7068071 | 0.80 | — | — | |
| SCHEMBL8167504 | 0.79 | — | — | |
| SCHEMBL6238006 | 0.79 | — | — | |
| SCHEMBL7970973 | 0.78 | CA1 (0.41) | — | |
| SCHEMBL6696365 | 0.78 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL2865718 | 0.77 | ZDHHC7 (0.45) | — | |
| SCHEMBL17590421 | 0.77 | — | — | |
| SCHEMBL6760312 | 0.77 | CA1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015054658-A1 | MODIFIED AMINO ACIDS COMPRISING TETRAZINE FUNCTIONAL GROUPS, METHODS OF PREPARATION, AND METHODS OF THEIR USE | SUTRO BIOPHARMA, INC. (US) | 2015-04-16 | — | — | WO | disclosed |