⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23394524 | 0.77 | — | — | |
| SCHEMBL6407121 | 0.77 | — | — | |
| SCHEMBL15591639 | 0.77 | — | — | |
| SCHEMBL9907097 | 0.70 | — | — | |
| SCHEMBL2488289 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL25302707 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL25258352 | 0.64 | — | — | |
| SCHEMBL19119558 | 0.64 | — | — | |
| SCHEMBL23394531 | 0.61 | — | — | |
| SCHEMBL24908762 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7612243-B2 | Cyclopenta[b]naphthalene derivatives | MERCK PATENT GMBH (DE) | 2009-11-03 | — | — | US | disclosed |
| US-7612243-B2 | Cyclopenta[b]naphthalene derivatives | MERCK PATENT GMBH (DE) | 2009-11-03 | — | — | US | disclosed |