⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7624182 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL29257977 | 0.80 | — | — | |
| SCHEMBL819350 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL7630510 | 0.70 | — | — | |
| SCHEMBL7628492 | 0.70 | — | — | |
| SCHEMBL7625764 | 0.68 | — | — | |
| SCHEMBL819478 | 0.67 | — | — | |
| SCHEMBL7623253 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL5410124 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL10793169 | 0.65 | ALDH1A1 (0.35) | — |
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-6271167-B1 | TRIMETHOXYSILANE COMPOUND | JAPAN POLYOLEFINS CO., LTD. (JP) | 2001-08-07 | — | — | US | disclosed |
| US-6063727-A | CATALYSTS WHICH ENABLE EFFICIENT PRODUCTION OF POLYOLEFINS HAVING LOW MOLECULAR WEIGHT, BROAD MOLECULAR WEIGHT DISTRIBUTION, HIGH STEREOREGULARITY | JAPAN POLYOLEFINS CO., LTD. (JP) | 2000-05-16 | — | — | US | disclosed |