⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23995705 | 0.81 | CRHBP (0.34) | — | |
| SCHEMBL8260601 | 0.70 | GRIN2D (0.32) | — | |
| SCHEMBL12049766 | 0.67 | — | — | |
| SCHEMBL12312676 | 0.67 | — | — | |
| SCHEMBL12232845 | 0.65 | — | — | |
| SCHEMBL22037076 | 0.65 | — | — | |
| SCHEMBL35211321 | 0.65 | CRHBP (0.33) | — | |
| SCHEMBL35211323 | 0.65 | CRHBP (0.33) | — | |
| SCHEMBL8259099 | 0.64 | GRIN2D (0.38) | — | |
| SCHEMBL22900011 | 0.63 | ALDH1A1 (0.37) | — |
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-20210139517-A1 | BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF | Revolution Medicines, Inc. | 2021-05-13 | — | — | US | disclosed |