⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL472871 | 0.78 | — | — | |
| Cyclopentene SCHEMBL4558557 | 0.77 | — | — | |
| SCHEMBL17594966 | 0.77 | — | — | |
| SCHEMBL27444047 | 0.76 | — | — | |
| SCHEMBL27858829 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11048878 | 0.76 | — | — | |
| SCHEMBL4258461 | 0.76 | CXCR4 (0.38) | — | |
| Benzene SCHEMBL28446162 | 0.74 | — | — | |
| Ethylene SCHEMBL27304002 | 0.74 | — | — | |
| Methylamine SCHEMBL27476913 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3191483-B1 | COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF | NORTH & SOUTH BROTHER PHARMACY INVESTMENT CO LTD (CN) | 2020-06-10 | — | — | EP | disclosed |
| US-9951010-B2 | Compounds as CRTH2 antagonist and uses thereof | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2018-04-24 | — | — | US | disclosed |
| US-20170267634-A1 | COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2017-09-21 | — | — | US | disclosed |