⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22689491 | 0.39 | — | — | |
| SCHEMBL42968 | 0.39 | GRIN2D (0.33) | — | |
| Hydrochloric Acid SCHEMBL4178849 | 0.35 | GRIN2D (0.31) | — | |
| SCHEMBL10954874 | 0.35 | GRIN2D (0.31) | — | |
| SCHEMBL81456 | 0.33 | — | — | |
| Methane SCHEMBL23044967 | 0.29 | — | — | |
| SCHEMBL6559802 | 0.29 | — | — | |
| SCHEMBL8023481 | 0.29 | — | — | |
| SCHEMBL31491414 | 0.29 | — | — | |
| SCHEMBL5347676 | 0.29 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5323251-A | Liquid crystals dispersed in isotropic, transparent polymer matrix having Swiss cheese morphology; irradiation polymerization, curing | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-06-21 | — | — | US | claimed |