⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10367452 | 1.00 | — | — | |
| SCHEMBL27698636 | 0.85 | FDPS (0.37) | — | |
| SCHEMBL7673135 | 0.78 | FDPS (0.39) | — | |
| SCHEMBL7678061 | 0.74 | CA12 (0.32) | — | |
| SCHEMBL20328013 | 0.74 | — | — | |
| SCHEMBL3127254 | 0.74 | — | — | |
| SCHEMBL7675689 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL4419564 | 0.72 | PGR (0.32) | — | |
| SCHEMBL10272319 | 0.71 | — | — | |
| SCHEMBL3306232 | 0.71 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049522-A2 | HEPATITIS C VIRUS INHIBITORS | Brystol-Myers Squibb Company (US) | 2009-04-22 | — | — | EP | claimed |
| WO-2008021927-A2 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-02-21 | — | — | WO | claimed |
| US-6380197-B1 | FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES | AVENTIS PHARMA S. A. (FR) | 2002-04-30 | — | — | US | claimed |
| EP-1001943-A1 | POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | Aventis Pharma S.A. (FR) | 2000-05-24 | — | — | EP | claimed |
| WO-1999003843-A1 | POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1999-01-28 | — | — | WO | claimed |
| CN-104274414-B | A kind of methyl naltrexone compound, oral tablet and preparation method thereof | 天津康鸿医药科技发展有限公司 | 2018-03-09 | — | — | CN | disclosed |
| CN-102471349-B | Conformationally constrained, fully synthetic macrocyclic compounds | 波利弗尔股份公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-105294732-A | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG | 2016-02-03 | — | — | CN | disclosed |
| CN-102471349-A | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG | 2012-05-23 | — | — | CN | disclosed |
| US-20080269487-A1 | 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | ASTRAZENECA AB | 2008-10-30 | — | — | US | disclosed |
| US-20050215574-A1 | 4-anilino quinazoline derivatives as antiproliferative agents | ASTRAZENECA AB (SE) | 2005-09-29 | — | — | US | disclosed |
| EP-1487806-A1 | 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | Astrazeneca AB (SE) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003082831-A1 | 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | ASTRAZENECA AB (SE) | 2003-10-09 | — | — | WO | disclosed |
| US-6380197-B1 | FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES | AVENTIS PHARMA S. A. (FR) | 2002-04-30 | — | — | US | disclosed |
| EP-0217372-A2 | Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-04-08 | — | — | EP | disclosed |
| EP-0193770-A2 | 3,4,5-Trihydroxypiperidine, process for their preparation and their use | BAYER AG (DE) | 1986-09-10 | — | — | EP | disclosed |
| US-4093812-A | MICROBIOCIDES, DISINFECTANTS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) | 1978-06-06 | — | — | US | disclosed |