⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1723957 | 0.88 | ADORA2A (0.43) | — | |
| SCHEMBL5486374 | 0.86 | ADORA2B (0.42) | — | |
| SCHEMBL2826206 | 0.85 | ADORA2B (0.44) | — | |
| SCHEMBL176271 | 0.83 | — | — | |
| SCHEMBL31330327 | 0.82 | ADORA2A (0.33) | — | |
| SCHEMBL31330313 | 0.78 | ADORA2A (0.33) | — | |
| SCHEMBL31330241 | 0.78 | ADORA2A (0.33) | — | |
| SCHEMBL31330324 | 0.76 | ADORA2A (0.33) | — | |
| SCHEMBL11402130 | 0.72 | GRIA1 (0.49) | — | |
| SCHEMBL31330320 | 0.72 | ADORA3 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024249959-A1 | COMPOSITIONS REDUCING THE EXPRESSION OR ACTIVITY OF C1 GALT1 FOR TREATING EWING SARCOMA | UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) | 2024-12-05 | — | — | WO | disclosed |
| WO-2021021761-A1 | UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION | NURIX THERAPEUTICS, INC. (US) | 2021-02-04 | — | — | WO | disclosed |