⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19392125 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL27994742 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL1020071 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL28208539 | 0.78 | — | — | |
| SCHEMBL2192555 | 0.78 | TSHR (0.36) | — | |
| Hydrochloric Acid SCHEMBL4079599 | 0.78 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL11579187 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL27869033 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL16666609 | 0.73 | — | — | |
| SCHEMBL3164465 | 0.66 | TSHR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115702024-A | Difluorocyclohexyl derivatives as IL-17 modulators | UCB生物制药有限责任公司 | 2023-02-14 | — | — | CN | disclosed |
| CN-104854087-A | As P2X7Indole carboxamide derivatives of receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-08-19 | — | — | CN | disclosed |