⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9509085 | 0.71 | TDP1 (0.33) | — | |
| SCHEMBL9511507 | 0.69 | TP53 (0.35) | — | |
| SCHEMBL4740694 | 0.65 | CYP19A1 (0.35) | — | |
| SCHEMBL8053904 | 0.63 | CYP19A1 (0.39) | — | |
| SCHEMBL15658946 | 0.62 | CYP19A1 (0.33) | — | |
| SCHEMBL6703062 | 0.61 | CYP19A1 (0.32) | — | |
| SCHEMBL20436278 | 0.61 | — | — | |
| SCHEMBL14299079 | 0.60 | SIRT2 (0.32) | — | |
| SCHEMBL9959584 | 0.59 | CYP19A1 (0.36) | — | |
| SCHEMBL8021501 | 0.59 | MAPT (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0398099-B1 | PROCESS FOR THE PRODUCTION OF CYCLOPENTANONES | BASF Aktiengesellschaft (DE) | 1993-09-22 | — | — | EP | disclosed |
| US-5166447-A | Preparation of cyclopentanones | BASF AKTIENGESELLSCHAFT (DE) | 1992-11-24 | — | — | US | disclosed |
| EP-0398099-A1 | Process for the production of cyclopentanones | BASF Aktiengesellschaft (DE) | 1990-11-22 | — | — | EP | disclosed |