⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3038426 | 0.70 | TDP1 (0.46) | — | |
| SCHEMBL13749821 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL3682014 | 0.69 | TDP1 (0.43) | — | |
| SCHEMBL5213611 | 0.67 | — | — | |
| SCHEMBL3391945 | 0.67 | — | — | |
| Tert-Butyl Formate SCHEMBL1671 | 0.65 | — | — | |
| Tert-Butyl Formate SCHEMBL30378535 | 0.65 | TDP1 (1.00) | — | |
| SCHEMBL28476353 | 0.65 | — | — | |
| SCHEMBL3044962 | 0.65 | TDP1 (0.40) | — | |
| SCHEMBL3040137 | 0.64 | TDP1 (0.39) | — |
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 172 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3053944-B1 | METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR | SHINETSU CHEMICAL CO (JP) | 2021-10-06 | — | — | EP | claimed |
| EP-2098508-B1 | Processes for preparing cyclic derivatives which are modulators of chemokine receptor activity | BRISTOL MYERS SQUIBB CO (US) | 2012-06-20 | — | — | EP | claimed |
| US-5530124-A | Method for preparing cyclic ureas and their use for the synthesis of HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-06-25 | — | — | US | claimed |
| US-20230108157-A1 | FORMULATIONS OF (S)-3-(1-(9H-PURIN-6-YLAMINO)ETHYL)-8-CHLORO-2-PHENYLISOQUINOLIN-1(2H)-ONE | INTELLIKINE LLC | 2023-04-06 | — | — | US | disclosed |
| US-11312718-B2 | Formulations of (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one | INFINITY PHARMACEUTICALS, INC. (US) | 2022-04-26 | — | — | US | disclosed |
| EP-3053944-B1 | METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR | SHINETSU CHEMICAL CO (JP) | 2021-10-06 | — | — | EP | disclosed |
| US-11066430-B2 | Method for producing polyalkylene glycol derivative having amino group at end | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-07-20 | — | — | US | disclosed |
| EP-3434713-B1 | METHODS OF PREPARING AND PURIFYING POLYALKYLENE GLYCOL DERIVATIVES | SHINETSU CHEMICAL CO (JP) | 2021-06-09 | — | — | EP | disclosed |
| US-20200385388-A1 | PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES | INFINITY PHARMACEUTICALS, INC. | 2020-12-10 | — | — | US | disclosed |
| US-10836861-B2 | Methods of preparing and purifying polyalkylene glycol derivative | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2020-11-17 | — | — | US | disclosed |
| US-10550122-B2 | Solid forms of (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2020-02-04 | — | — | US | disclosed |
| US-5658885-A | OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-08-19 | — | — | US | disclosed |
| US-5644025-A | AGLYCON DALBAHEPTIDE ANTIBIOTICS FOR CYCLIC TETRAPEPTIDES FOR BACTERICIDES | GRUPPO LEPETIT SPA (IT) | 1997-07-01 | — | — | US | disclosed |
| WO-1996040652-A1 | METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-19 | — | — | WO | disclosed |
| WO-1996039393-A1 | METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-12 | — | — | WO | disclosed |
| US-5532356-A | Method for preparing N,N'-disubstituted cyclic ureas | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-02 | — | — | US | disclosed |
| US-5532357-A | Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-02 | — | — | US | disclosed |
| WO-1996012499-A1 | AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-05-02 | — | — | WO | disclosed |
| EP-0698041-A1 | SYNTHETIC AGLUCODALBAHEPTIDE ANTIBIOTICS | LEPETIT SPA (IT) | 1996-02-28 | — | — | EP | disclosed |
| WO-1994026780-A1 | SYNTHETIC AGLUCODALBAHEPTIDE ANTIBIOTICS | GRUPPO LEPETIT S.P.A. (IT) | 1994-11-24 | — | — | WO | disclosed |