⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6578426 | 0.69 | — | — | |
| SCHEMBL27982665 | 0.68 | — | — | |
| SCHEMBL2984508 | 0.65 | — | — | |
| SCHEMBL2984505 | 0.65 | — | — | |
| SCHEMBL18681748 | 0.64 | — | — | |
| SCHEMBL303862 | 0.64 | — | — | |
| Acrylic Acid SCHEMBL381789 | 0.64 | — | — | |
| SCHEMBL22537447 | 0.64 | — | — | |
| Butadiene SCHEMBL3313277 | 0.62 | — | — | |
| SCHEMBL18462902 | 0.62 | TSHR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3212184-B1 | SUBSTITUTED BENZOTETRAHYDROPYRANS AND THEIR USE | ABBVIE OVERSEAS SARL (LU) | 2020-04-01 | — | — | EP | disclosed |
| EP-3212184-A1 | SUBSTITUTED TETRAHYDROPYRANS AND METHOD OF USE | Abbvie S.a.r.l. (LU) | 2017-09-06 | — | — | EP | disclosed |
| US-9567322-B2 | Substituted tetrahydropyrans and method of use | ABBVIE S.Á.R.L. (LU) | 2017-02-14 | — | — | US | disclosed |
| WO-2016069891-A1 | SUBSTITUTED TETRAHYDROPYRANS AND METHOD OF USE | ABBVIE INC. (US) | 2016-05-06 | — | — | WO | disclosed |
| US-20160122331-A1 | SUBSTITUTED TETRAHYDROPYRANS AND METHOD OF USE | ABBVIE OVERSEAS S.Á.R.L. (LU) | 2016-05-05 | — | — | US | disclosed |