⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22304410 | 0.69 | RRM2 (0.36) | — | |
| SCHEMBL29333935 | 0.69 | PDCD1LG2 (0.30) | — | |
| SCHEMBL4777192 | 0.64 | — | — | |
| SCHEMBL10141335 | 0.62 | — | — | |
| SCHEMBL31123507 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL27678758 | 0.62 | RAB9A (0.40) | — | |
| SCHEMBL14665206 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL23500667 | 0.62 | RAB9A (0.40) | — | |
| SCHEMBL27693702 | 0.62 | — | — | |
| SCHEMBL2732228 | 0.61 | PIK3CG (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021160127-A1 | HETEROCYCLIC GLP-1 AGONISTS | GASHERBRUM BIO, INC. (US) | 2021-08-19 | — | — | WO | disclosed |