⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16449027 | 0.97 | — | — | |
| SCHEMBL20177915 | 0.93 | — | — | |
| SCHEMBL12678708 | 0.86 | — | — | |
| SCHEMBL8380432 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL23555026 | 0.71 | CHRM2 (0.31) | — | |
| SCHEMBL26700999 | 0.71 | — | — | |
| SCHEMBL598709 | 0.69 | — | — | |
| SCHEMBL3003269 | 0.67 | — | — | |
| SCHEMBL21347996 | 0.67 | — | — | |
| SCHEMBL18867085 | 0.67 | — | — |
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-11912708-B2 | Macrocyclic heterocycles and uses thereof | KUMQUAT BIOSCIENCES INC. (US) | 2024-02-27 | — | — | US | disclosed |
| WO-2023125935-A1 | BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |
| WO-2018093577-A1 | CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2018-05-24 | — | — | WO | disclosed |