⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9751041 | 0.76 | CYP3A4 (0.35) | — | |
| SCHEMBL9751038 | 0.68 | CYP3A4 (0.34) | — | |
| SCHEMBL16398268 | 0.66 | HTR2C (0.44) | — | |
| SCHEMBL16398264 | 0.66 | HTR2C (0.44) | — | |
| SCHEMBL10477482 | 0.63 | CHRNB2 (0.33) | — | |
| SCHEMBL10655041 | 0.63 | CYP3A4 (0.38) | — | |
| SCHEMBL9627029 | 0.62 | CD44 (0.37) | — | |
| SCHEMBL10399467 | 0.62 | CYP3A4 (0.35) | — | |
| SCHEMBL8292041 | 0.61 | NOS3 (0.37) | — | |
| SCHEMBL6757154 | 0.61 | CA1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4985159-A | Alkenylated toluenediamines as antioxidants for organic materials | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-01-15 | — | — | US | disclosed |
| US-4845291-A | ANTIOXIDATNS, CHAIN EXTENDERS FOR POLYURETHANES AND/OR POLYUREAS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-07-04 | — | — | US | disclosed |
| US-4714778-A | Alkenylated toluenediamines for use in preparing polyurethane/urea systems | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1987-12-22 | — | — | US | disclosed |