⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2281952 | 1.00 | — | — | |
| SCHEMBL2378612 | 1.00 | — | — | |
| SCHEMBL8227572 | 1.00 | — | — | |
| SCHEMBL10067708 | 1.00 | — | — | |
| SCHEMBL904084 | 1.00 | — | — | |
| SCHEMBL24267539 | 1.00 | — | — | |
| SCHEMBL5325155 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL14779398 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL21712963 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL14779396 | 0.97 | — | — |
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 |