⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22775992 | 1.00 | — | — | |
| SCHEMBL17238914 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL12482126 | 0.74 | — | — | |
| SCHEMBL3487755 | 0.73 | — | — | |
| SCHEMBL1031835 | 0.73 | — | — | |
| SCHEMBL26569284 | 0.73 | — | — | |
| SCHEMBL11518876 | 0.73 | — | — | |
| SCHEMBL1863198 | 0.73 | — | — | |
| SCHEMBL629330 | 0.72 | MAPT (0.35) | — | |
| SCHEMBL28202114 | 0.71 | — | — |
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-2017184549-A1 | PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF | INNOV17 LLC (US) | 2017-10-26 | — | — | WO | disclosed |