⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31487413 | 1.00 | — | — | |
| SCHEMBL24425721 | 0.77 | CCR5 (0.32) | — | |
| SCHEMBL17173182 | 0.77 | — | — | |
| SCHEMBL14684205 | 0.77 | — | — | |
| SCHEMBL904132 | 0.72 | — | — | |
| SCHEMBL3929944 | 0.71 | — | — | |
| SCHEMBL26101217 | 0.71 | — | — | |
| SCHEMBL25355467 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL25355474 | 0.70 | TSHR (0.34) | — | |
| Hydrochloric Acid SCHEMBL23581405 | 0.69 | IDO1 (0.33) | — |
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-2012041158-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |