⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37014 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL37013 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL6667547 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL6862335 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL1521232 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL1191155 | 0.75 | DGAT1 (0.33) | — | |
| SCHEMBL336281 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL10456754 | 0.72 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL6054785 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL1253170 | 0.70 | ALDH1A1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7538161-B2 | Production and bonding method of elastomer composition | THE YOKOHAMA RUBBER CO., LTD. (JP) | 2009-05-26 | — | — | US | disclosed |
| US-20050065289-A1 | Production and bonding method of elastomer composition | YOKOHAMA RUBBER CO., LTD., THE (JP) | 2005-03-24 | — | — | US | disclosed |