⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13543563 | 1.00 | — | — | |
| SCHEMBL12059266 | 1.00 | — | — | |
| SCHEMBL12716623 | 0.83 | ESR1 (0.34) | — | |
| SCHEMBL8369391 | 0.83 | ESR1 (0.34) | — | |
| SCHEMBL12717919 | 0.83 | ESR1 (0.34) | — | |
| SCHEMBL27377526 | 0.81 | — | — | |
| SCHEMBL23158337 | 0.80 | GBA2 (0.38) | — | |
| SCHEMBL16511216 | 0.80 | GBA2 (0.38) | — | |
| SCHEMBL25892964 | 0.80 | — | — | |
| SCHEMBL24801869 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11129832-B2 | Biheteroaryl compounds and uses thereof | GENENTECH, INC. (US) | 2021-09-28 | — | — | US | disclosed |
| US-20200188397-A1 | BIHETEROARYL COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2020-06-18 | — | — | US | disclosed |
| US-10010549-B2 | Biheteroaryl compounds and uses thereof | GENENTECH, INC. (US) | 2018-07-03 | — | — | US | disclosed |