⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19982748 | 0.60 | — | — | |
| SCHEMBL30838391 | 0.57 | — | — | |
| SCHEMBL28455772 | 0.56 | — | — | |
| SCHEMBL16976530 | 0.55 | — | — | |
| SCHEMBL18805998 | 0.55 | — | — | |
| SCHEMBL21215341 | 0.54 | — | — | |
| SCHEMBL4758533 | 0.53 | — | — | |
| SCHEMBL19982751 | 0.52 | — | — | |
| SCHEMBL2508035 | 0.52 | — | — | |
| SCHEMBL14076167 | 0.51 | — | — |
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-2014151936-A9 | OCTAHYDROPYRROLOPYRROLES, THEIR PREPARATION AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-06-25 | — | — | WO | disclosed |
| WO-2014151936-A1 | OCTAHYDROPYRROLOPYRROLES, THEIR PREPARATION AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-09-25 | — | — | WO | disclosed |