⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4611413 | 0.90 | RORC (0.32) | — | |
| SCHEMBL4609283 | 0.88 | RORC (0.31) | — | |
| SCHEMBL4817561 | 0.88 | RORC (0.31) | — | |
| SCHEMBL4611107 | 0.88 | RORC (0.31) | — | |
| SCHEMBL4598797 | 0.86 | PDK2 (0.31) | — | |
| SCHEMBL4610575 | 0.85 | RORC (0.33) | — | |
| SCHEMBL4815320 | 0.83 | — | — | |
| SCHEMBL4611246 | 0.83 | RORC (0.31) | — | |
| SCHEMBL4597415 | 0.83 | NR1I2 (0.32) | — | |
| SCHEMBL4762543 | 0.81 | KIF11 (0.31) | — |
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-20080293757-A1 | ABCA1 ELEVATING COMPOUNDS | ABELMAN MATTHEW | 2008-11-27 | — | — | US | disclosed |
| US-7432276-B2 | ABCA1 elevating compounds | CV THERAPEUTICS, INC. (US) | 2008-10-07 | — | — | US | disclosed |
| US-7423045-B2 | ABCA1 elevating compounds | CV THERAPEUTICS, INC. (US) | 2008-09-09 | — | — | US | disclosed |
| US-20070191379-A1 | ABCA1 elevating compounds | CV THERAPEUTICS, INC. | 2007-08-16 | — | — | US | disclosed |
| US-20070010544-A1 | ABCA1 elevating compounds | CV THERAPEUTICS, INC. | 2007-01-11 | — | — | US | disclosed |