⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29495 | 1.00 | — | — | |
| SCHEMBL9720381 | 0.94 | — | — | |
| SCHEMBL132267 | 0.94 | — | — | |
| SCHEMBL1716583 | 0.94 | — | — | |
| SCHEMBL20993361 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL27795187 | 0.94 | — | — | |
| SCHEMBL1445938 | 0.94 | — | — | |
| Lindane SCHEMBL10694454 | 0.88 | LMNA (0.56) | — | |
| Hydrazine SCHEMBL22043002 | 0.84 | — | — | |
| SCHEMBL9416085 | 0.84 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1722798-B1 | PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONISTS | VERNALIS R&D LTD (GB) | 2010-10-20 | — | — | EP | claimed |
| US-20080182860-A1 | Pyrimidine Compounds as Purine Receptor Antagonist | VERNALIS (R&D) LTD. (GB) | 2008-07-31 | — | — | US | claimed |
| EP-1722798-A1 | PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST | VERNALIS (R&D) LTD (GB) | 2006-11-22 | — | — | EP | claimed |
| WO-2005079800-A1 | PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST | VERNALIS (R & D) LTD. (GB) | 2005-09-01 | — | — | WO | claimed |
| CN-108440229-A | A kind of preparation method of anti-AIDS drug big human relations intermediate cyclopropyl acetylene in accordance with the law | 瑞孚信江苏药业股份有限公司 | 2018-08-24 | — | — | CN | disclosed |
| WO-2013135674-A1 | INSECTICIDAL 2-ARYL-ACETAMIDE COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2013-09-19 | — | — | WO | disclosed |
| EP-1638551-B1 | IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS | IRM LLC (BM) | 2011-12-21 | — | — | EP | disclosed |
| CN-101421257-A | Agents that disrupt cellular replication and their use in inhibiting pathological conditions | EUROPEAN MOLECULAR BIOLOGY LAB EMBL (DE) | 2009-04-29 | — | — | CN | disclosed |
| CN-1247528-C | Novel tricyclic compounds, preparation method and pharmaceutical compositions containing same | SIRVIR LAB (FR) | 2006-03-29 | — | — | CN | disclosed |
| CN-1333761-A | Isothiazolecarboxylic acid derivatives | BAYER AGROCHEM KK (JP) | 2002-01-30 | — | — | CN | disclosed |
| CN-1285817-A | Novel tricyclic compounds, preparation method and pharmaceutical compositions containing same | ADIR (FR) | 2001-02-28 | — | — | CN | disclosed |