⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL22771845 | 0.97 | — | — | |
| SCHEMBL12912097 | 0.84 | — | — | |
| SCHEMBL12911817 | 0.82 | TSHR (0.55) | — | |
| Hydrochloric Acid SCHEMBL22771816 | 0.82 | TSHR (0.46) | — | |
| SCHEMBL20038041 | 0.81 | CYP2C19 (0.41) | — | |
| Hydrochloric Acid SCHEMBL22771828 | 0.80 | TSHR (0.52) | — | |
| Hydrochloric Acid SCHEMBL11576750 | 0.79 | ALDH1A1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL31505737 | 0.79 | ALDH1A1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL5688838 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL943336 | 0.78 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5565602-A | REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-10-15 | — | — | US | claimed |
| US-5565602-A | REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-10-15 | — | — | US | disclosed |
| EP-0009302-B1 | CLAVULANIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION | BEECHAM GROUP PLC (GB) | 1983-10-26 | — | — | EP | disclosed |
| US-4359473-A | α-Amino deoxy clavulanic acid antibacterial agents | BEECHAM GROUP LIMITED (GB) | 1982-11-16 | — | — | US | disclosed |
| EP-0009302-A1 | Clavulanic acid derivatives and process for their preparation | BEECHAM GROUP PLC (GB) | 1980-04-02 | — | — | EP | disclosed |