⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11125999 | 0.90 | AHR (0.33) | — | |
| SCHEMBL10654425 | 0.84 | AHR (0.37) | — | |
| SCHEMBL11121111 | 0.79 | AHR (0.37) | — | |
| SCHEMBL11121470 | 0.79 | — | — | |
| SCHEMBL9511418 | 0.73 | AHR (0.33) | — | |
| SCHEMBL10654401 | 0.73 | AHR (0.45) | — | |
| SCHEMBL38661805 | 0.71 | MAPT (0.36) | — | |
| SCHEMBL9927340 | 0.71 | MAPT (0.36) | — | |
| SCHEMBL11133003 | 0.70 | AHR (0.33) | — | |
| SCHEMBL1610442 | 0.65 | MAPT (0.46) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0063384-B1 | PROCESS FOR THE NUCLEAR CHLORINATION OF TOLUENE | HODOGAYA CHEMICAL CO., LTD. (JP) | 1984-12-19 | — | — | EP | claimed |
| EP-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |
| EP-0173222-B1 | PROCESS FOR THE NUCLEAR CHLORINATION OF TOLUENE | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-03-09 | — | — | EP | disclosed |
| US-4647709-A | Process for ring-chlorinating toluene | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-03-03 | — | — | US | disclosed |
| EP-0173222-A1 | Process for the nuclear chlorination of toluene | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-03-05 | — | — | EP | disclosed |