⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11350031 | 0.76 | — | — | |
| SCHEMBL4799 | 0.76 | — | — | |
| SCHEMBL97522 | 0.76 | — | — | |
| SCHEMBL15048602 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL23888654 | 0.68 | — | — | |
| SCHEMBL2118246 | 0.68 | — | — | |
| SCHEMBL3652086 | 0.68 | — | — | |
| SCHEMBL10356155 | 0.68 | — | — | |
| SCHEMBL1309130 | 0.68 | — | — | |
| Selenium SCHEMBL644455 | 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 |
|---|---|---|---|---|---|---|---|
| CN-104030908-A | Method for preparing 2,4-dichloro-10,11-dihydro-5H-dibenzo[a, d] cycloheptene-5-one | CHIEN SHIUNG INST TECHNOLOGY | 2014-09-10 | — | — | CN | disclosed |