⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15280118 | 0.79 | CCR1 (0.38) | — | |
| SCHEMBL21432140 | 0.78 | — | — | |
| SCHEMBL29660486 | 0.78 | — | — | |
| SCHEMBL794853 | 0.78 | MGAM (0.34) | — | |
| SCHEMBL29660466 | 0.78 | MGAM (0.34) | — | |
| SCHEMBL306515 | 0.78 | ENPP3 (0.36) | — | |
| SCHEMBL29378331 | 0.78 | ENPP3 (0.36) | — | |
| SCHEMBL2794776 | 0.78 | — | — | |
| SCHEMBL1002153 | 0.78 | — | — | |
| SCHEMBL6955788 | 0.77 | CCR1 (0.42) | — |
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-20210139484-A1 | DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS | GOSSAMER BIO SERVICES INC (US) | 2021-05-13 | — | — | US | disclosed |
| US-20210139484-A1 | DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS | GOSSAMER BIO SERVICES INC (US) | 2021-05-13 | — | — | US | disclosed |
| US-20090258907-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES | ABBOTT LABORATORIES (US) | 2009-10-15 | — | — | US | disclosed |