⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3039164 | 0.83 | HTR2C (0.44) | — | |
| SCHEMBL13326508 | 0.83 | HTR2C (0.44) | — | |
| SCHEMBL29715758 | 0.83 | HTR2C (0.44) | — | |
| SCHEMBL8862594 | 0.80 | KDM4E (0.39) | — | |
| SCHEMBL13326505 | 0.77 | KDM4E (0.49) | — | |
| SCHEMBL6140044 | 0.77 | KDM4E (0.49) | — | |
| SCHEMBL8684691 | 0.77 | KDM4E (0.32) | — | |
| SCHEMBL8681958 | 0.74 | KDM4E (0.44) | — | |
| SCHEMBL31633673 | 0.74 | AHR (0.37) | — | |
| SCHEMBL8680714 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5759729-A | A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY | XEROX CORPORATION (US) | 1998-06-02 | — | — | US | disclosed |
| US-5710420-A | Method for embedding and recovering machine-readable information | XEROX CORPORATION (US) | 1998-01-20 | — | — | US | disclosed |
| US-5633109-A | Ink compositions with liposomes containing photochromic compounds | XEROX CORPORATION (US) | 1997-05-27 | — | — | US | disclosed |
| US-5593486-A | Photochromic hot melt ink compositions | XEROX CORPORATION (US) | 1997-01-14 | — | — | US | disclosed |
| US-5551973-A | LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE | XEROX CORPORATION (US) | 1996-09-03 | — | — | US | disclosed |