⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29313232 | 0.77 | — | — | |
| SCHEMBL6009312 | 0.77 | EPHX1 (0.59) | — | |
| SCHEMBL1720575 | 0.76 | — | — | |
| SCHEMBL28293734 | 0.76 | MMP1 (0.48) | — | |
| SCHEMBL320068 | 0.76 | — | — | |
| SCHEMBL11498313 | 0.74 | — | — | |
| SCHEMBL9666789 | 0.73 | EPHX1 (0.69) | — | |
| SCHEMBL6832475 | 0.73 | TDP1 (0.34) | — | |
| SCHEMBL11140816 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL17120970 | 0.71 | MMP1 (0.43) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5153331-A | Reacting 6-epoxyethyl-3-oxatricyclo 3.2.1.0(2,4)!octane with a thiocyanate salt and/or a thiourea | NIPPON OIL COMPANY, LTD. (JP) | 1992-10-06 | — | — | US | disclosed |
| EP-0452092-A2 | 6-Epithioethyl-3-oxatricyclo (3.2.1.02.4) octane and process for preparation thereof | NIPPON OIL CO. LTD. (JP) | 1991-10-16 | — | — | EP | disclosed |
| US-4649138-A | S-(AMINOALKYL) ISOTHIOUREA AS IMMUNOSUPPRESSANT | SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) | 1987-03-10 | — | — | US | disclosed |
| US-4490387-A | ISOTHIOUREA DERIVATIVES WHICH HAVE IMMONOSUPPRESSANT ACTIVITY | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-12-25 | — | — | US | disclosed |
| US-4447337-A | WITH MOLYBDENUM COMPOUND AND A THIOUREA | MONSANTO COMPANY (US) | 1984-05-08 | — | — | US | disclosed |
| US-4378365-A | IMMUNOSUPPRESSANT, ANTIARTHRITIC, ANTIINFLAMMATORY; S-(AMINOALKYL)-ISOTHIOUREAS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-03-29 | — | — | US | disclosed |
| US-4294854-A | S-(AMINOALKYL) ISOTHIOUREAS WHICH HAVE IMMUNOSUPPRESANT ACTIVITY, IN TREATING RHEUMATOID ARTHRITIS, PSORIASIS, REDUCING INFLAMMATION | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-10-13 | — | — | US | disclosed |
| US-4205071-A | Pharmaceutical compositions having immunosuppressant activity and methods therefor | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-05-27 | — | — | US | disclosed |