⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25075845 | 0.69 | — | — | |
| SCHEMBL5437418 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL9733225 | 0.65 | CA2 (0.35) | — | |
| SCHEMBL12438051 | 0.65 | CA2 (0.35) | — | |
| SCHEMBL7378364 | 0.63 | — | — | |
| SCHEMBL22947188 | 0.61 | — | — | |
| SCHEMBL3214361 | 0.61 | — | — | |
| SCHEMBL3633565 | 0.61 | — | — | |
| SCHEMBL7701527 | 0.61 | — | — | |
| SCHEMBL3952285 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1051551-C | Novel pyrrolocarbazoles | HOFFMANN LA ROCHE (CH) | 2000-04-19 | — | — | CN | disclosed |
| EP-0695755-B1 | Pyrrolocarbazole | HOFFMANN LA ROCHE (CH) | 1998-10-21 | — | — | EP | disclosed |
| US-5721267-A | ANTICANCER AGENTS | SYNTEX (U.S.A.) INC. (US) | 1998-02-24 | — | — | US | disclosed |
| CN-1123280-A | Novel pyrrolocarbazoles | HOFFMANN LA ROCHE (CH) | 1996-05-29 | — | — | CN | disclosed |
| EP-0695755-A1 | Pyrrolocarbazoles | F. Hoffmann-La Roche AG (CH) | 1996-02-07 | — | — | EP | disclosed |