⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8385079 | 0.97 | — | — | |
| SCHEMBL3256863 | 0.72 | — | — | |
| SCHEMBL10421200 | 0.71 | — | — | |
| Water SCHEMBL25402677 | 0.69 | — | — | |
| SCHEMBL424026 | 0.67 | — | — | |
| SCHEMBL2730283 | 0.65 | — | — | |
| SCHEMBL4223443 | 0.65 | — | — | |
| SCHEMBL10382153 | 0.64 | — | — | |
| SCHEMBL10607217 | 0.63 | — | — | |
| SCHEMBL23653482 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873289-B1 | PROCESS FOR CATALYTIC ADDITION OF NUCLEOPHILES TO ALKINES OR ALLENES | BASF AG (DE) | 2000-05-03 | — | — | EP | disclosed |
| US-6037482-A | USING GOLD COMPLEX CATALYST FOR NUCLEOPHILIC ADDITION REACTION OF WATER OR ALCOHOL OR CARBOXYLIC ACID WITH ALKYNESOR ALLENES TO FORM NULCEOPHILE SUBSTITUTED ALKENES | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-14 | — | — | US | disclosed |
| US-6002004-A | Pyrrolodiazine derivatives as stabilizers for chilorine-containing polymers | WITCO VINYL ADDITIVES GMBH (DE) | 1999-12-14 | — | — | US | disclosed |
| US-5770643-A | Pyrrolodiazine derivatives as stabilizers for chlorine-containing polymers | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-06-23 | — | — | US | disclosed |
| EP-0736569-A1 | Derivatives of pyrrolodiazine as stabilisers for polymers containing chlorine | CIBA-GEIGY AG (CH) | 1996-10-09 | — | — | EP | disclosed |