⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3996913 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL28353 | 0.73 | — | — | |
| SCHEMBL3057352 | 0.73 | DPP4 (0.47) | — | |
| SCHEMBL132873 | 0.73 | DPP4 (0.47) | — | |
| SCHEMBL331064 | 0.73 | — | — | |
| SCHEMBL6283476 | 0.73 | TSHR (0.65) | — | |
| SCHEMBL151375 | 0.73 | TSHR (0.65) | — | |
| SCHEMBL11660398 | 0.73 | TSHR (0.55) | — | |
| SCHEMBL623763 | 0.71 | DPP4 (0.45) | — | |
| SCHEMBL10790033 | 0.71 | DPP4 (0.45) | — |
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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3728214-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2020-10-28 | — | — | EP | claimed |
| EP-3558975-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | claimed |
| EP-3558976-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | claimed |
| EP-3558986-A1 | SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | claimed |
| WO-2018114662-A1 | SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | claimed |
| WO-2018114663-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | claimed |
| WO-2018114596-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | claimed |
| US-3988375-A | HERBICIDES | MONSANTO COMPANY (US) | 1976-10-26 | — | — | US | claimed |
| WO-2023144450-A1 | COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS | OULUN YLIOPISTO (FI) | 2023-08-03 | — | — | WO | disclosed |
| CN-116438214-A | Sealing material for organic EL display element, cured product thereof, and organic EL display device | 三井化学株式会社 | 2023-07-14 | — | — | CN | disclosed |
| WO-2022107692-A1 | SEALING MATERIAL FOR ORGANIC EL DISPLAY ELEMENT, CURED PRODUCT OF SAID SEALING MATERIAL, AND ORGANIC EL DISPLAY DEVICE | 三井化学株式会社 | 2022-05-27 | — | — | WO | disclosed |
| CN-106397648-B | The poly- conjugated diolefin of high 3,4- of the side arm with unsaturated group or functional group and its their preparation method | 中国科学院长春应用化学研究所 | 2019-03-05 | — | — | CN | disclosed |
| CN-109232391-A | A kind of preparation method of novel -3 ketone of 6- sulfydryl -2H- dihydropyridine | 大连理工大学 | 2019-01-18 | — | — | CN | disclosed |
| CN-108530331-A | The method for being catalyzed phenyl isocyanate or phenyl isothiocyanate and mercaptan addition reaction | 苏州大学 | 2018-09-14 | — | — | CN | disclosed |
| US-5466701-A | Degenerative diseases | STERLING WINTHROP INC. (US) | 1995-11-14 | — | — | US | disclosed |
| CN-1104214-A | Novel 2-thiocarbpenems | AMERICAN CRANAMID COMPANY (US) | 1995-06-28 | — | — | CN | disclosed |
| US-5378720-A | Treatment of rheumatoid arthritis, emphysema, pancreatitis | STERLING WINTHROP INC. (US) | 1995-01-03 | — | — | US | disclosed |
| EP-0626378-A1 | Saccharin derivative proteolytic enzyme inhibitors | STERLING WINTHROP INC. (US) | 1994-11-30 | — | — | EP | disclosed |
| CN-1079449-A | Process for removing sulfur compounds from water | PACQUES BV (NL) | 1993-12-15 | — | — | CN | disclosed |
| EP-0337714-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1989-10-18 | — | — | EP | disclosed |