⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24521978 | 0.95 | — | — | |
| SCHEMBL24521986 | 0.90 | — | — | |
| SCHEMBL816289 | 0.90 | — | — | |
| SCHEMBL6514285 | 0.86 | — | — | |
| SCHEMBL19336656 | 0.80 | — | — | |
| SCHEMBL24266912 | 0.79 | — | — | |
| SCHEMBL4246939 | 0.74 | — | — | |
| SCHEMBL24570803 | 0.71 | — | — | |
| SCHEMBL16182534 | 0.71 | — | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.71 | RXFP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230139809-A1 | BENZIMIDAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-05-04 | — | — | US | disclosed |
| US-20230139809-A1 | BENZIMIDAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-05-04 | — | — | US | disclosed |
| WO-2021151922-A1 | BENZIMIDAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2021-08-05 | — | — | WO | disclosed |
| EP-0278257-B1 | 4-TERT.-BUTYL-1,2-BENZENEDITHIOL, COMPLEX COMPOUNDS DERIVED THEREFROM, AND A METHOD OF PRODUCING THE SAME | SEITETSU KAGAKU CO., LTD. (JP) | 1992-05-13 | — | — | EP | disclosed |
| US-4835317-A | 4-tert.-butyl-1,2-benzenedithiol, complex compounds derived therefrom, and a method of producing the same | SEITETSU KAGAKU CO., LTD. (JP) | 1989-05-30 | — | — | US | disclosed |
| US-4529684-A | Benzenedithiol nickel complex | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1985-07-16 | — | — | US | disclosed |
| US-4510079-A | POLYOLEFINS WITH FLOW IMPROVER FOR DIRECT ELECTROPLATING WITH GOOD ADHESION | MITSUI TOATSU CHEMICALS, INC. (JP) | 1985-04-09 | — | — | US | disclosed |
| US-4508655-A | NEAR INFRARED ABSORBERS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1985-04-02 | — | — | US | disclosed |
| US-4481131-A | Electroconductive resin composition | MITSUI TOATSU CHEMICALS, INC. (JP) | 1984-11-06 | — | — | US | disclosed |
| EP-0058916-A1 | Electroconductive polyolefin resin composition | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1982-09-01 | — | — | EP | disclosed |