⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1855305 | 0.82 | CHRM1 (0.35) | — | |
| SCHEMBL689996 | 0.75 | — | — | |
| SCHEMBL1855721 | 0.75 | ATM (0.31) | — | |
| SCHEMBL1860158 | 0.72 | CHRM4 (0.31) | — | |
| SCHEMBL14744313 | 0.69 | CHRNA7 (0.32) | — | |
| SCHEMBL1070625 | 0.69 | CHRNA7 (0.32) | — | |
| SCHEMBL126557 | 0.69 | SERPINE1 (0.38) | — | |
| SCHEMBL10618631 | 0.69 | CHRNA7 (0.32) | — | |
| SCHEMBL1138479 | 0.69 | SERPINE1 (0.38) | — | |
| SCHEMBL26834 | 0.69 | SERPINE1 (0.38) | — |
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-1863475-B1 | NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-09-07 | — | — | EP | claimed |
| EP-1863787-B1 | HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-05-25 | — | — | EP | claimed |
| EP-1863474-B1 | NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-11-12 | — | — | EP | claimed |