⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8609156 | 0.88 | — | — | |
| SCHEMBL8609154 | 0.88 | — | — | |
| SCHEMBL10440476 | 0.81 | CES1 (0.41) | — | |
| SCHEMBL7864808 | 0.72 | — | — | |
| SCHEMBL487520 | 0.72 | — | — | |
| SCHEMBL11605970 | 0.71 | — | — | |
| SCHEMBL11605968 | 0.71 | — | — | |
| SCHEMBL663214 | 0.71 | — | — | |
| SCHEMBL663213 | 0.71 | — | — | |
| SCHEMBL4812467 | 0.69 | CES2 (0.40) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9573942-B2 | HIV inhibiting 5-amido substituted pyrimidines | JANSSEN SCIENCES IRELAND UC (IE) | 2017-02-21 | — | — | US | disclosed |
| US-20150099749-A1 | HIV INHIBITING 5-AMIDO SUBSTITUTED PYRIMIDINES | JANSSEN SCIENCES IRELAND UC (IE) | 2015-04-09 | — | — | US | disclosed |
| US-8933089-B2 | HIV inhibiting 5-amido substituted pyrimidines | JANSSEN R & D IRELAND (IE) | 2015-01-13 | — | — | US | disclosed |
| EP-2004632-B1 | HIV INHIBITING 5-AMIDO SUBSTITUTED PYRIMIDINES | JANSSEN R & D IRELAND (IE) | 2014-03-12 | — | — | EP | disclosed |
| US-8163745-B2 | HIV inhibiting 5-(hydroxymethylene and aminomethylene) substituted pyrimidines | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2012-04-24 | — | — | US | disclosed |
| EP-2004641-B1 | HIV INHIBITING 5-(HYDROXYMETHYLENE AND AMINOMETHYLENE) SUBSTITUTED PYRIMIDINES | TIBOTEC PHARM LTD (IE) | 2010-09-29 | — | — | EP | disclosed |
| US-20100234375-A1 | HIV INHIBITING 5-(HYDROXYMETHYLENE AND AMINOMETHYLENE) SUBSTITUTED PYRIMIDINES | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2010-09-16 | — | — | US | disclosed |
| US-20100168104-A1 | HIV INHIBITING 5-AMIDO SUBSTITUTED PYRIMIDINES | JANSSEN SCIENCES IRELAND UC (IE) | 2010-07-01 | — | — | US | disclosed |
| EP-2004632-A1 | HIV INHIBITING 5-AMIDO SUBSTITUTED PYRIMIDINES | Tibotec Pharmaceuticals Ltd. (IE) | 2008-12-24 | — | — | EP | disclosed |
| EP-2004641-A1 | HIV INHIBITING 5-(HYDROXYMETHYLENE AND AMINOMETHYLENE) SUBSTITUTED PYRIMIDINES | Tibotec Pharmaceuticals Ltd. (IE) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007113256-A1 | HIV INHIBITING 5-(HYDROXYMETHYLENE AND AMINOMETHYLENE) SUBSTITUTED PYRIMIDINES | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2007-10-11 | — | — | WO | disclosed |
| WO-2007113254-A1 | HIV INHIBITING 5-AMIDO SUBSTITUTED PYRIMIDINES | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2007-10-11 | — | — | WO | disclosed |