⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11650950 | 0.97 | — | — | |
| SCHEMBL11415809 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL11418890 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL11419064 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL11409411 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL11410810 | 0.73 | — | — | |
| SCHEMBL11422152 | 0.71 | — | — | |
| SCHEMBL28000040 | 0.71 | — | — | |
| SCHEMBL10435016 | 0.71 | — | — | |
| SCHEMBL22437 | 0.69 | TSHR (0.56) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4085262-A | Process for producing a high polymeric substance having isocyanate group | BRIDGESTONE TIRE COMPANY LIMITED (JA) | 1978-04-18 | — | — | US | claimed |
| US-5137981-A | Heat resistant rubber; esterification butadiene polymer using halogenated carboxy compound | BRIDGESTONE CORPORATION (JP) | 1992-08-11 | — | — | US | disclosed |
| EP-0328291-B1 | HALOGENATED POLYBUTADIENE SERIES ELASTOMERS, METHOD OF PRODUCING THE SAME, AND RUBBER COMPOSITIONS FOR TIRES CONTAINING THE ELASTOMER | Bridgestone Corporation (JP) | 1992-04-29 | — | — | EP | disclosed |
| US-5064518-A | Method for the selective alpha halogenation of alkylaromatic compounds | THE DOW CHEMICAL COMPANY (US) | 1991-11-12 | — | — | US | disclosed |
| US-4992151-A | Method for the selective alpha halogenation of alkylaromatic compounds | THE DOW CHEMICAL COMPANY (US) | 1991-02-12 | — | — | US | disclosed |
| EP-0328291-A1 | Halogenated polybutadiene series elastomers, method of producing the same, and rubber compositions for tires containing the elastomer | Bridgestone Corporation (JP) | 1989-08-16 | — | — | EP | disclosed |
| EP-0060120-B1 | PROCESS FOR PREPARING 4-HALOAZETIDIN-2-ONES | ELI LILLY AND COMPANY (US) | 1984-12-19 | — | — | EP | disclosed |
| US-4368156-A | USING POSITIVE HALOGEN REAGENT | ELI LILLY AND COMPANY (US) | 1983-01-11 | — | — | US | disclosed |
| EP-0060120-A1 | Process for preparing 4-haloazetidin-2-ones | ELI LILLY AND COMPANY (US) | 1982-09-15 | — | — | EP | disclosed |
| US-4075007-A | N-chloro-chloroacetamides as herbicides | NATIONAL PATENT DEVELOPMENT CORPORATION (US) | 1978-02-21 | — | — | US | disclosed |
| US-4008133-A | ANND CHLORINE | THE LUMMUS COMPANY (US) | 1977-02-15 | — | — | US | disclosed |
| US-3931165-A | INSECTICIDES, HERBICIDES | BARER SOL J | 1976-01-06 | — | — | US | disclosed |