⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4267041 | 0.85 | ALDH1A1 (0.46) | — | |
| SCHEMBL27277948 | 0.82 | ALDH1A1 (0.44) | — | |
| SCHEMBL8716524 | 0.81 | — | — | |
| SCHEMBL1710128 | 0.78 | — | — | |
| SCHEMBL4702066 | 0.78 | — | — | |
| SCHEMBL8943892 | 0.78 | — | — | |
| SCHEMBL24798414 | 0.77 | MAPT (0.46) | — | |
| SCHEMBL7689524 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL3044755 | 0.76 | — | — | |
| SCHEMBL338767 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8563741-B2 | CDK inhibitors containing a zinc binding moiety | CURIS, INC. (US) | 2013-10-22 | — | — | US | disclosed |
| 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 |
| EP-0873289-A1 | PROCESS FOR CATALYTIC ADDITION OF NUCLEOPHILES TO ALKINES OR ALLENES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-28 | — | — | EP | disclosed |
| WO-1997021648-A1 | PROCESS FOR CATALYTIC ADDITION OF NUCLEOPHILES TO ALKINES OR ALLENES | BASF AKTIENGESELLSCHAFT (DE) | 1997-06-19 | — | — | WO | disclosed |