⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6262507 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL4583504 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL487653 | 0.72 | — | — | |
| SCHEMBL9819925 | 0.70 | — | — | |
| SCHEMBL5442543 | 0.70 | — | — | |
| SCHEMBL15271832 | 0.70 | — | — | |
| SCHEMBL12475284 | 0.69 | — | — | |
| SCHEMBL10399018 | 0.69 | — | — | |
| SCHEMBL42883 | 0.69 | — | — | |
| SCHEMBL11043587 | 0.69 | TSHR (0.35) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4119106-A | VINYL CARBONATE MONOMER, SMOKING | PHILIP MORRIS, INCORPORATED (US) | 1978-10-10 | — | — | US | claimed |
| EP-3071577-A1 | THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS | Bayer Pharma Aktiengesellschaft (DE) | 2016-09-28 | — | — | EP | disclosed |
| EP-2951187-A1 | SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2015-12-09 | — | — | EP | disclosed |
| WO-2015074986-A1 | THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-05-28 | — | — | WO | disclosed |
| EP-2852595-A1 | SUBSTITUTED BENZOTHIENOPYRIMIDINES | Bayer Pharma Aktiengesellschaft (DE) | 2015-04-01 | — | — | EP | disclosed |
| EP-2852593-A1 | SUBSTITUTED PYRROLOPYRIMIDINES | Bayer Pharma Aktiengesellschaft (DE) | 2015-04-01 | — | — | EP | disclosed |
| WO-2014118229-A1 | SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2014-08-07 | — | — | WO | disclosed |
| WO-2013174743-A1 | SUBSTITUTED PYRROLOPYRIMIDINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2013-11-28 | — | — | WO | disclosed |
| WO-2013174735-A1 | SUBSTITUTED BENZOTHIENOPYRIMIDINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2013-11-28 | — | — | WO | disclosed |