⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8280 | 1.00 | — | — | |
| SCHEMBL11614918 | 1.00 | — | — | |
| SCHEMBL241360 | 0.92 | — | — | |
| SCHEMBL25541845 | 0.85 | — | — | |
| SCHEMBL167253 | 0.85 | — | — | |
| SCHEMBL27036740 | 0.85 | — | — | |
| SCHEMBL28259630 | 0.82 | — | — | |
| SCHEMBL2197276 | 0.79 | — | — | |
| SCHEMBL30688061 | 0.79 | — | — | |
| SCHEMBL2002222 | 0.77 | EPHX1 (0.42) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4385980-A1 | INDAZOLES AS INHIBITORS OF NAV1.8 | Grünenthal GmbH (DE) | 2024-06-19 | — | — | EP | disclosed |
| EP-3515919-A1 | N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF | Bayer Aktiengesellschaft (DE) | 2019-07-31 | — | — | EP | disclosed |
| CN-109963858-A | N3The thieno uracil and application thereof that ring-type replaces | 拜耳股份公司 | 2019-07-02 | — | — | CN | disclosed |
| WO-2018054846-A1 | N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2018-03-29 | — | — | WO | disclosed |
| WO-2018041771-A1 | (1-METHYLCYCLOPROPYL)METHYL-SUBSTITUTED THIENOURACILES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-03-08 | — | — | WO | disclosed |
| WO-2017030684-A1 | DEHYDRATIVE CYCLIZATION OF PENTITOLS USING WATER-TOLERANT LEWIS ACID CATALYSTS UNDER MILD CONDITIONS AND DERIVATIVES | ARCHER DANIELS MIDLAND COMPANY (US) | 2017-02-23 | — | — | WO | disclosed |
| US-5770611-A | Indole derivatives as 5HT1 -like agonists | PFIZER INC. (US) | 1998-06-23 | — | — | US | disclosed |
| EP-0785933-B1 | INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS | PFIZER LTD (GB) | 1998-03-11 | — | — | EP | disclosed |
| US-4100288-A | N-Tetrahydrofurfuryl-noroxymorphones, their salts, and analgesic compositions and methods employing them | BOEHRINGER INGELHEIM GMBH (DE) | 1978-07-11 | — | — | US | disclosed |