⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5847817 | 0.98 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL656105 | 0.80 | — | — | |
| SCHEMBL11372843 | 0.77 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL622574 | 0.76 | MEN1 (0.45) | — | |
| SCHEMBL19728844 | 0.76 | FDPS (0.45) | — | |
| SCHEMBL6039575 | 0.73 | — | — | |
| SCHEMBL4580288 | 0.73 | — | — | |
| SCHEMBL970110 | 0.72 | — | — | |
| SCHEMBL306157 | 0.72 | — | — | |
| SCHEMBL21556963 | 0.72 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114085260-B | Steroid derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-113999277-B | Steroid derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-114085260-A | Steroid derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-02-25 | — | — | CN | disclosed |
| US-8450317-B2 | CXCR3 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-28 | — | — | US | disclosed |
| EP-2424840-A1 | CXCR3 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126811-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | WO | disclosed |
| US-20100280028-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | US | disclosed |
| WO-2006038001-A1 | AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS | CELLTECH R & D LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |