⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12160740 | 1.00 | — | — | |
| SCHEMBL357257 | 1.00 | — | — | |
| SCHEMBL20614486 | 0.97 | CREBBP (0.52) | — | |
| SCHEMBL815291 | 0.84 | — | — | |
| SCHEMBL8285795 | 0.84 | — | — | |
| SCHEMBL23047579 | 0.82 | CREBBP (0.42) | — | |
| SCHEMBL17830837 | 0.82 | CREBBP (0.42) | — | |
| SCHEMBL18890752 | 0.80 | — | — | |
| SCHEMBL22187093 | 0.80 | — | — | |
| SCHEMBL21955672 | 0.78 | CREBBP (0.40) | — |
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-2024123966-A1 | COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS | THIRD HARMONIC BIO, INC. (US) | 2024-06-13 | — | — | WO | disclosed |
| WO-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |