⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24477568 | 1.00 | — | — | |
| SCHEMBL12835942 | 0.86 | — | — | |
| SCHEMBL21377069 | 0.86 | — | — | |
| SCHEMBL18925009 | 0.86 | — | — | |
| SCHEMBL13003167 | 0.82 | HSD11B1 (0.36) | — | |
| SCHEMBL356232 | 0.77 | — | — | |
| SCHEMBL19951600 | 0.77 | — | — | |
| SCHEMBL22597884 | 0.77 | VNN1 (0.32) | — | |
| SCHEMBL14768816 | 0.75 | — | — | |
| SCHEMBL3436862 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3071576-B1 | PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS | TRANSITIONS OPTICAL INC (US) | 2021-08-18 | — | — | EP | disclosed |
| EP-2651911-B1 | LACTONE COMPOUNDS AND MATERIALS MADE THEREFROM | TRANSITIONS OPTICAL INC (US) | 2019-02-20 | — | — | EP | disclosed |
| WO-2019027960-A1 | PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-02-07 | — | — | WO | disclosed |
| WO-2013090220-A1 | INDENO-FUSED NAPHTHOPYRANS HAVING ETHYLENICALLY UNSATURATED GROUPS | PPG INDUSTRIES, INC. (US) | 2013-06-20 | — | — | WO | disclosed |