⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1826218 | 0.63 | CYP1A2 (0.32) | — | |
| SCHEMBL16658996 | 0.62 | — | — | |
| SCHEMBL8646185 | 0.60 | — | — | |
| SCHEMBL17581083 | 0.59 | — | — | |
| SCHEMBL14490036 | 0.59 | — | — | |
| SCHEMBL14175680 | 0.59 | — | — | |
| SCHEMBL14490037 | 0.59 | — | — | |
| SCHEMBL17211792 | 0.58 | — | — | |
| SCHEMBL18470741 | 0.58 | — | — | |
| SCHEMBL2961120 | 0.58 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024006559-A1 | MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS | Neumora Therapeutics, Inc. (US) | 2024-01-04 | — | — | WO | disclosed |
| US-8304406-B2 | Compounds for treating pulmonary hypertension | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-11-06 | — | — | US | disclosed |
| US-20110263597-A1 | SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY | BAYER HEALTHCARE LLC (US) | 2011-10-27 | — | — | US | disclosed |
| US-7977333-B2 | Hyperpermeability; diabetic retinopathy, ischemic retinal-vein occlusion, prematurity, age-related macular degeneration | BAYER HEALTHCARE LLC (US) | 2011-07-12 | — | — | US | disclosed |
| US-20100113452-A1 | COMPOUNDS FOR TREATING PULMONARY HYPERTENSION | BAYER HEALTHCARE AG (DE) | 2010-05-06 | — | — | US | disclosed |
| EP-0455545-A1 | Process for the preparation of mono- or polyalkoxylated aromatic compounds | RHONE-POULENC CHIMIE (FR) | 1991-11-06 | — | — | EP | disclosed |