⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8329292 | 0.81 | — | — | |
| SCHEMBL9299182 | 0.81 | — | — | |
| SCHEMBL7142904 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL20420724 | 0.79 | MAOA (0.33) | — | |
| SCHEMBL12217177 | 0.77 | — | — | |
| SCHEMBL22414981 | 0.73 | — | — | |
| SCHEMBL7718539 | 0.72 | MAOA (0.35) | — | |
| SCHEMBL27283469 | 0.71 | SLC6A1 (0.34) | — | |
| SCHEMBL14074004 | 0.69 | — | — | |
| SCHEMBL17174420 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200239454-A1 | SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2020-07-30 | — | — | US | disclosed |