⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL101280 | 0.83 | — | — | |
| SCHEMBL28491261 | 0.80 | — | — | |
| Phosphine SCHEMBL28626874 | 0.80 | — | — | |
| Charcoal, Activated SCHEMBL7916448 | 0.80 | — | — | |
| SCHEMBL5139250 | 0.79 | — | — | |
| SCHEMBL11973891 | 0.78 | ALDH1A1 (0.35) | — | |
| Ethyne SCHEMBL7258726 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL3627376 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL7922575 | 0.77 | — | — | |
| SCHEMBL10766856 | 0.75 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113680355-A | Preparation method and application of copper-containing catalyst for hydrochlorination of alkyne | 浙江工业大学 | 2021-11-23 | — | — | CN | disclosed |
| CN-111285752-A | Multistage heat exchange reaction system for chloropropene production | 山东凯泰科技股份有限公司 | 2020-06-16 | — | — | CN | disclosed |
| CN-107118075-B | Chloropropene purification system | 山东海益化工科技有限公司 | 2020-01-21 | — | — | CN | disclosed |
| CN-1079965-A | Weedicide | ZENECA LTD (GB) | 1993-12-29 | — | — | CN | disclosed |
| EP-0030807-B1 | SHAPED BIOMEDICAL ARTICLES MADE OF POLYSILOXANE POLYMERS | BAUSCH & LOMB INCORPORATED (US) | 1985-06-19 | — | — | EP | disclosed |
| EP-0035080-B1 | SHAPED BIOMEDICAL ARTICLES FORMED FROM POLYSILOXANE POLYMERS | BAUSCH & LOMB INCORPORATED (US) | 1984-08-15 | — | — | EP | disclosed |
| EP-0035080-A1 | Shaped biomedical articles formed from polysiloxane polymers | BAUSCH & LOMB INCORPORATED (US) | 1981-09-09 | — | — | EP | disclosed |
| EP-0030807-A1 | Shaped biomedical articles made of polysiloxane polymers | BAUSCH & LOMB INCORPORATED (US) | 1981-06-24 | — | — | EP | disclosed |
| US-4260725-A | Hydrophilic contact lens made from polysiloxanes which are thermally bonded to polymerizable groups and which contain hydrophilic sidechains | BAUSCH & LOMB INCORPORATED (US) | 1981-04-07 | — | — | US | disclosed |
| US-4259467-A | Hydrophilic contact lens made from polysiloxanes containing hydrophilic sidechains | BAUSCH & LOMB INCORPORATED (US) | 1981-03-31 | — | — | US | disclosed |