⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12927454 | 0.84 | LMNA (0.30) | — | |
| SCHEMBL16250755 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL1070208 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL12927466 | 0.79 | LMNA (0.30) | — | |
| SCHEMBL12927472 | 0.79 | LMNA (0.30) | — | |
| SCHEMBL15929827 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL6390822 | 0.78 | — | — | |
| SCHEMBL17052931 | 0.78 | — | — | |
| SCHEMBL8353442 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL27296089 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3757091-A1 | COMPOUND HAVING S1P5 RECEPTOR AGONIST ACTIVITY | ONO Pharmaceutical Co., Ltd. (JP) | 2020-12-30 | — | — | EP | disclosed |
| EP-1976692-A2 | SOLAR CONTROL LAMINATES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007079249-A2 | SOLAR CONTROL LAMINATES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-07-12 | — | — | WO | disclosed |
| US-4867784-A | Cyclohexenone derivatives, preparation thereof and use thereof as herbicidal and plant growth regulator agents | BASF AKTIENGESELLSCHAFT (DE) | 1989-09-19 | — | — | US | disclosed |