⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22027438 | 0.79 | ACHE (0.58) | — | |
| SCHEMBL1453752 | 0.75 | — | — | |
| SCHEMBL22027484 | 0.75 | — | — | |
| SCHEMBL1452143 | 0.73 | ALDH1A1 (0.40) | — | |
| M-Xylene SCHEMBL891494 | 0.71 | ACHE (1.00) | — | |
| M-Xylene SCHEMBL6397624 | 0.71 | — | — | |
| M-Xylene SCHEMBL28189 | 0.71 | — | — | |
| M-Xylene SCHEMBL27787897 | 0.69 | ACHE (0.80) | — | |
| M-Xylene SCHEMBL8135461 | 0.68 | ACHE (0.92) | — | |
| M-Xylene SCHEMBL359731 | 0.68 | — | — |
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-20200179914-A1 | METHOD FOR PRODUCING CATALYST | POLYPLASTICS CO., LTD. (JP) | 2020-06-11 | — | — | US | disclosed |