⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6992015 | 1.00 | — | — | |
| SCHEMBL19301379 | 0.70 | — | — | |
| SCHEMBL789427 | 0.70 | — | — | |
| SCHEMBL19301358 | 0.70 | — | — | |
| SCHEMBL11375732 | 0.69 | — | — | |
| SCHEMBL6065351 | 0.69 | — | — | |
| SCHEMBL12062681 | 0.69 | — | — | |
| SCHEMBL11497795 | 0.65 | — | — | |
| SCHEMBL15809477 | 0.65 | — | — | |
| SCHEMBL3890710 | 0.65 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3959509-A | Flavoring foodstuffs using sulfur-containing compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-05-25 | — | — | US | claimed |
| US-20160095938-A1 | CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS | IMMUNOGEN, INC. | 2016-04-07 | — | — | US | disclosed |
| EP-1505094-B1 | THIOURETHANE-BASED OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2014-01-22 | — | — | EP | disclosed |
| US-7396900-B2 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2008-07-08 | — | — | US | disclosed |
| US-7244808-B2 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2007-07-17 | — | — | US | disclosed |
| US-20070149822-A1 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2007-06-28 | — | — | US | disclosed |
| US-20050131203-A1 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2005-06-16 | — | — | US | disclosed |
| EP-1505094-A1 | THIOURETHANE-BASED OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2005-02-09 | — | — | EP | disclosed |
| US-20010031865-A1 | Substituted 3-phenyluracils | KLINTZ RALF (DE) | 2001-10-18 | — | — | US | disclosed |
| US-6239074-B1 | HERBICIDES, INSECTICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-29 | — | — | US | disclosed |
| EP-0604491-A1 | SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES | BASF Aktiengesellschaft (DE) | 1994-07-06 | — | — | EP | disclosed |
| WO-1993006090-A1 | SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-01 | — | — | WO | disclosed |
| US-5108487-A | Herbicidal sulfonamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-04-28 | — | — | US | disclosed |
| US-4927453-A | Herbicidal sulfonamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-05-22 | — | — | US | disclosed |
| US-4293579-A | Flavoring with 3,5-di-(2-methylpropyl)-1,2,4-trithiolane | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-10-06 | — | — | US | disclosed |
| US-4263331-A | FOODS, HAZELNUT | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-04-21 | — | — | US | disclosed |
| US-4259507-A | ROAST PORK FLAVOR | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-03-31 | — | — | US | disclosed |
| US-3959509-A | Flavoring foodstuffs using sulfur-containing compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-05-25 | — | — | US | disclosed |