⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23842061 | 0.74 | — | — | |
| SCHEMBL11722589 | 0.69 | — | — | |
| SCHEMBL2822781 | 0.69 | — | — | |
| SCHEMBL8294357 | 0.65 | GRIN2D (0.39) | — | |
| SCHEMBL16111349 | 0.63 | — | — | |
| SCHEMBL12669935 | 0.63 | — | — | |
| SCHEMBL17780197 | 0.63 | GRIN2D (0.33) | — | |
| SCHEMBL5263192 | 0.63 | — | — | |
| SCHEMBL20939964 | 0.63 | GRIN2D (0.33) | — | |
| SCHEMBL20220999 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022150637-A1 | NOVEL STEROID PAYLOADS, STEROID LINKERS, ADCs CONTAINING AND USE THEREOF | IMMUNEXT, INC. (US) | 2022-07-14 | — | — | WO | disclosed |
| US-10144732-B2 | ATX modulating agents | BIOGEN MA INC. (US) | 2018-12-04 | — | — | US | disclosed |
| US-20170197960-A1 | ATX MODULATING AGENTS | BIOGEN MA INC. | 2017-07-13 | — | — | US | disclosed |