⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25058991 | 0.85 | MAOA (0.48) | — | |
| SCHEMBL12175881 | 0.81 | CES1 (0.39) | — | |
| SCHEMBL15690755 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL12175889 | 0.78 | LMNA (0.52) | — | |
| SCHEMBL10586348 | 0.76 | P2RX4 (0.48) | — | |
| SCHEMBL11677341 | 0.76 | HTR2A (0.50) | — | |
| SCHEMBL8038574 | 0.76 | MAOA (0.58) | — | |
| SCHEMBL12320654 | 0.76 | HPGD (0.42) | — | |
| Hydrochloric Acid SCHEMBL11818641 | 0.74 | HTR2A (0.48) | — | |
| SCHEMBL12320651 | 0.73 | KMT2A (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016080791-A1 | A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2016-05-26 | — | — | WO | disclosed |
| US-8288025-B2 | High performance polymeric blend membrane materials based on N-heterocycles and acid-base interactions | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-10-16 | — | — | US | disclosed |
| US-20080020256-A1 | HIGH PERFORMANCE POLYMERIC BLEND MEMBRANE MATERIALS BASED ON N-HETEROCYCLES AND ACID-BASE INTERACTIONS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2008-01-24 | — | — | US | disclosed |