⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10001111 | 0.82 | — | — | |
| SCHEMBL9519124 | 0.79 | — | — | |
| SCHEMBL160461 | 0.77 | — | — | |
| SCHEMBL7599645 | 0.77 | — | — | |
| SCHEMBL183124 | 0.77 | — | — | |
| SCHEMBL6050025 | 0.75 | — | — | |
| Water SCHEMBL27897235 | 0.75 | — | — | |
| SCHEMBL3714178 | 0.75 | — | — | |
| Water SCHEMBL2308338 | 0.75 | ALDH1A1 (0.34) | — | |
| Bromide SCHEMBL28275344 | 0.73 | ALDH1A1 (0.33) | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3615535-A1 | 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS | Univerzita Palackého v Olomouci (CZ) | 2020-03-04 | — | — | EP | disclosed |
| WO-2018196893-A1 | 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2018-11-01 | — | — | WO | disclosed |
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| EP-1341766-B1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | HOFFMANN LA ROCHE (CH) | 2005-10-26 | — | — | EP | disclosed |
| US-20040192752-A1 | Anti-HIV pyrazole derivatives | DYMOCK BRIAN WILLIAM (GB) | 2004-09-30 | — | — | US | disclosed |
| US-6699887-B2 | ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION | HOFFMANN-LA ROCHE INC. | 2004-03-02 | — | — | US | disclosed |
| EP-1341766-A1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-10 | — | — | EP | disclosed |
| EP-1326843-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. Hoffmann-La Roche AG (CH) | 2003-07-16 | — | — | EP | disclosed |
| US-6518293-B2 | Inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. | HOFFMANN-LA ROCHE INC. | 2003-02-11 | — | — | US | disclosed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | US | disclosed |
| US-5681836-A | Methanesulfonate salts of antipsychotic benzofuran derivatives | MERCK, SHARP & DOHME, LTD. (GB) | 1997-10-28 | — | — | US | disclosed |
| US-5665722-A | Benzofuran derivatives as D4 receptor antagonists | MERCK, SHARP & DOHME, LTD. (GB) | 1997-09-09 | — | — | US | disclosed |
| CN-1155284-A | Thipyridines for use in control of helicobacter bacteria | BYK GULDEN LOMBERG CHEM FAB (DE) | 1997-07-23 | — | — | CN | disclosed |
| EP-0757686-A1 | BENZOFURAN DERIVATIVES AS D 4? RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1997-02-12 | — | — | EP | disclosed |
| US-5587389-A | Substituted heteroarylaklylthiopyridines for controlling helicobacter bacteria | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-12-24 | — | — | US | disclosed |
| US-5563152-A | Pyrrolo-pyridine derivatives | MERCK, SHARP & DOHME LTD. (GB) | 1996-10-08 | — | — | US | disclosed |
| US-5563150-A | Pyrrolo-pyridine derivatives | MERCK, SHARP & DOHME LTD. (GB) | 1996-10-08 | — | — | US | disclosed |
| WO-1995029911-A1 | BENZOFURAN DERIVATIVES AS D4 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-11-09 | — | — | WO | disclosed |
| WO-1994020459-A2 | PYRROLO-PYRIDINE DERIVATIVES AS DOPAMINE RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-15 | — | — | WO | disclosed |
| WO-1994019346-A1 | SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1994-09-01 | — | — | WO | disclosed |