⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2220219 | 0.76 | POLB (0.31) | — | |
| SCHEMBL1786653 | 0.70 | — | — | |
| SCHEMBL10160748 | 0.68 | — | — | |
| SCHEMBL1848030 | 0.67 | — | — | |
| SCHEMBL14031096 | 0.66 | NOS3 (0.33) | — | |
| SCHEMBL3398730 | 0.64 | — | — | |
| SCHEMBL12693992 | 0.64 | — | — | |
| SCHEMBL559869 | 0.63 | — | — | |
| SCHEMBL1841710 | 0.63 | — | — | |
| SCHEMBL2489173 | 0.62 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5238602-A | Electrooptical cells | HOFFMANN LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |
| US-5013478-A | Electromagnetic radiation resistance; miscibility; dielectrics; rotation and guest/host cells | HOFFMANN-LA ROCHE INC. (US) | 1991-05-07 | — | — | US | disclosed |
| US-4980486-A | Phenyl isothiocyanates | HOFFMANN-LA ROCHE INC. (US) | 1990-12-25 | — | — | US | disclosed |
| US-4915480-A | Liquid crystalline compounds and mixtures | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-04-10 | — | — | US | disclosed |
| US-4709030-A | 4-ALKENYL OR 2Z-ALKENYL POLYPHENYL COMPOUNDS; ELECTRO-OPTICS | HOFFMANN-LA ROCHE INC. (US) | 1987-11-24 | — | — | US | disclosed |
| US-4676604-A | RADIATION RESISTANCE; MISCIBILITY; ROTATION ELECTROPTICAL CELLS | HOFFMANN-LA ROCHE INC. (US) | 1987-06-30 | — | — | US | disclosed |
| US-4621901-A | ELECTROOPTICS | HOFFMANN-LA ROCHE INC. (US) | 1986-11-11 | — | — | US | disclosed |
| US-4565425-A | Liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1986-01-21 | — | — | US | disclosed |