⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5041441 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL3369942 | 0.64 | — | — | |
| SCHEMBL161500 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL12013822 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL18840133 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL801023 | 0.61 | — | — | |
| SCHEMBL801002 | 0.61 | — | — | |
| SCHEMBL767985 | 0.61 | — | — | |
| SCHEMBL11415784 | 0.58 | — | — | |
| SCHEMBL8295841 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100354319-C | Hydrogenation catalyst composition and method for hydrogenating conjugate diene polymer | TAIWAN RUBBER CO LTD (CN) | 2007-12-12 | — | — | CN | disclosed |
| CN-1781955-A | Hydrogenation catalyst composition and method for hydrogenating conjugate diene polymer | TAIWAN RUBBER CO LTD (CN) | 2006-06-07 | — | — | CN | disclosed |