⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3147401 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8774217 | 0.97 | LMNA (0.38) | — | |
| SCHEMBL12908642 | 0.97 | LMNA (0.38) | — | |
| SCHEMBL21706210 | 0.89 | PLG (0.33) | — | |
| SCHEMBL11975944 | 0.83 | PLG (0.50) | — | |
| SCHEMBL5888307 | 0.83 | PLG (0.50) | — | |
| SCHEMBL10406628 | 0.80 | PLG (0.37) | — | |
| SCHEMBL10709582 | 0.80 | ANPEP (0.53) | — | |
| SCHEMBL3147397 | 0.79 | — | — | |
| SCHEMBL10290719 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110201593-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2011-08-18 | — | — | US | disclosed |