⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16316869 | 0.92 | CHRNB2 (0.32) | — | |
| SCHEMBL20170871 | 0.83 | — | — | |
| SCHEMBL6965211 | 0.78 | CHRNB2 (0.33) | — | |
| SCHEMBL733735 | 0.78 | CHRNB2 (0.33) | — | |
| SCHEMBL25687521 | 0.75 | JAK2 (0.30) | — | |
| SCHEMBL21736598 | 0.75 | — | — | |
| SCHEMBL4757755 | 0.73 | — | — | |
| SCHEMBL19013814 | 0.73 | — | — | |
| SCHEMBL19663806 | 0.73 | CHRNB2 (0.35) | — | |
| SCHEMBL21883665 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3596061-B1 | COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER | ARGONAUT THERAPEUTICS LTD (GB) | 2023-09-06 | — | — | EP | disclosed |
| EP-2630123-B1 | SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS | GRUENENTHAL GMBH (DE) | 2017-12-20 | — | — | EP | disclosed |