⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2267565 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL891509 | 0.71 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL19623 | 0.69 | — | — | |
| SCHEMBL384408 | 0.67 | — | — | |
| SCHEMBL4074375 | 0.67 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL9420254 | 0.65 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL5060026 | 0.65 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL9165802 | 0.65 | — | — | |
| SCHEMBL2107148 | 0.65 | TP53 (0.33) | — | |
| SCHEMBL8979240 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115724439-B | Halogen-containing titanium-silicon molecular sieve and preparation method thereof | 中国石油化工股份有限公司 | 2024-06-11 | — | — | CN | claimed |
| CN-115724439-A | Titanium-silicon molecular sieve containing halogen and preparation method thereof | 中国石油化工股份有限公司 | 2023-03-03 | — | — | CN | claimed |
| CN-116803966-A | Method for preparing vicinal diol by titanium-silicon molecular sieve catalysis | 中国石油化工股份有限公司 | 2023-09-26 | — | — | CN | disclosed |
| CN-115724808-A | Olefin epoxidation method | 中国石油化工股份有限公司 | 2023-03-03 | — | — | CN | disclosed |
| CN-115724439-A | Titanium-silicon molecular sieve containing halogen and preparation method thereof | 中国石油化工股份有限公司 | 2023-03-03 | — | — | CN | disclosed |
| CN-115724766-A | Ammoximation method | 中国石油化工股份有限公司 | 2023-03-03 | — | — | CN | disclosed |