⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28781856 | 1.00 | — | — | |
| SCHEMBL17837861 | 1.00 | — | — | |
| SCHEMBL17857686 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL10782279 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL26171166 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL210278 | 0.77 | — | — | |
| SCHEMBL4426723 | 0.77 | — | — | |
| SCHEMBL28306121 | 0.76 | — | — | |
| SCHEMBL27938072 | 0.76 | — | — | |
| SCHEMBL10710391 | 0.75 | MGAM (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116969971-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2023-10-31 | — | — | CN | disclosed |
| US-20210087206-A1 | MACROCYCLIC KINASE INHIBITORS AND THEIR USE | TURNING POINT THERAPEUTICS INC (US) | 2021-03-25 | — | — | US | disclosed |
| EP-3233829-B1 | PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS | PFIZER (US) | 2019-08-14 | — | — | EP | disclosed |
| US-9593097-B2 | Axl inhibitors | PFIZER INC. (US) | 2017-03-14 | — | — | US | disclosed |
| US-20160176850-A1 | AXL INHIBITORS | PFIZER INC. | 2016-06-23 | — | — | US | disclosed |