⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19949336 | 0.90 | TSHR (0.44) | — | |
| SCHEMBL7784 | 0.88 | — | — | |
| Methane SCHEMBL28070762 | 0.85 | — | — | |
| SCHEMBL27606771 | 0.85 | — | — | |
| Ethyne SCHEMBL28100220 | 0.85 | — | — | |
| SCHEMBL28098525 | 0.82 | TSHR (0.46) | — | |
| Cyclopentane SCHEMBL28067684 | 0.80 | TSHR (0.41) | — | |
| SCHEMBL19377 | 0.79 | — | — | |
| SCHEMBL7287683 | 0.78 | TRPV1 (0.43) | — | |
| SCHEMBL7287688 | 0.78 | TRPV1 (0.43) | — |
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-109912735-B | External electron donor for olefin polymerization catalyst, catalyst system and preparation method of polyolefin | 中国科学院化学研究所 | 2020-09-29 | — | — | CN | disclosed |
| CN-109912735-A | The preparation method of olefin polymerization catalysis external electron donor, catalyst system and polyolefin | 中国科学院化学研究所 | 2019-06-21 | — | — | CN | disclosed |