⚠ 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 | |
|---|---|---|---|---|
| Allyl Alcohol SCHEMBL17714284 | 0.78 | — | — | |
| Allyl Alcohol SCHEMBL17714269 | 0.72 | — | — | |
| Allyl Alcohol SCHEMBL1332489 | 0.70 | — | — | |
| Allyl Alcohol SCHEMBL3782 | 0.70 | — | — | |
| Allyl Alcohol SCHEMBL1331425 | 0.70 | — | — | |
| Allyl Alcohol SCHEMBL4940557 | 0.70 | — | — | |
| Allyl Alcohol SCHEMBL4654133 | 0.67 | — | — | |
| Allyl Alcohol SCHEMBL4729230 | 0.67 | — | — | |
| Allyl Alcohol SCHEMBL5382706 | 0.67 | — | — | |
| Allyl Alcohol SCHEMBL4665160 | 0.67 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10160778-B2 | Pyrimidine phosphonic acid esters | CONCERT PHARMACEUTICALS, INC. (US) | 2018-12-25 | — | — | US | disclosed |
| US-20170334937-A1 | PYRIMIDINE PHOSPHONIC ACID ESTERS | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2017-11-23 | — | — | US | disclosed |
| EP-3212656-A1 | PYRIMIDINE PHOSPHONIC ACID ESTERS BEARING AT LEAST ONE DEUTERIUM ATOM | Concert Pharmaceuticals Inc. (US) | 2017-09-06 | — | — | EP | disclosed |
| WO-2016069630-A1 | PYRIMIDINE PHOSPHONIC ACID ESTERS BEARING AT LEAST ONE DEUTERIUM ATOM | CONCERT PHARMACEUTICALS, INC. (US) | 2016-05-06 | — | — | WO | disclosed |
| EP-0873355-B1 | TETHERED PRODRUGS BY VIRTUE OF COVALENT LINKAGE WITH ANALOGS OF GLUTATHIONE | TELIK INC (US) | 2006-04-19 | — | — | EP | disclosed |
| US-5880097-A | Tethered prodrugs | TERRAPIN TECHOLOGIES, INC. (US) | 1999-03-09 | — | — | US | disclosed |
| EP-0873355-A1 | TETHERED PRODRUGS BY VIRTUE OF COVALENT LINKAGE WITH ANALOGS OF GLUTATHIONE | TERRAPIN TECHNOLOGIES, INC. (US) | 1998-10-28 | — | — | EP | disclosed |
| WO-1997025342-A1 | TETHERED PRODRUGS BY VIRTUE OF COVALENT LINKAGE WITH ANALOGS OF GLUTATHIONE | TERRAPIN TECHNOLOGIES, INC. (US) | 1997-07-17 | — | — | WO | disclosed |