⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2788806 | 0.77 | NOS1 (0.50) | — | |
| SCHEMBL2787473 | 0.75 | — | — | |
| SCHEMBL29709600 | 0.75 | — | — | |
| SCHEMBL7203715 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL7203718 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL2032597 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL7201967 | 0.74 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL2788526 | 0.73 | GGT1 (0.43) | — | |
| SCHEMBL5524511 | 0.72 | — | — | |
| SCHEMBL28147139 | 0.71 | NOS1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007140471-A2 | RIBOSOME AND RNA DISPLAY OF BIOLOGICALLY ACTIVE SMALL MOLECULES | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2007-12-06 | — | — | WO | claimed |
| WO-2007139573-A1 | RIBOSOME AND RNA DISPLAY OF BIOLOGICALLY ACTIVE SMALL MOLECULES | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2007-12-06 | — | — | WO | claimed |