⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27280935 | 1.00 | — | — | |
| SCHEMBL15510196 | 0.77 | KDM4E (0.67) | — | |
| SCHEMBL9761860 | 0.76 | — | — | |
| Water SCHEMBL28099895 | 0.75 | — | — | |
| SCHEMBL27287324 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9761812 | 0.74 | — | — | |
| Diethylamine SCHEMBL9762846 | 0.74 | TP53 (0.38) | — | |
| SCHEMBL27280591 | 0.73 | ADRB2 (0.41) | — | |
| SCHEMBL21776952 | 0.73 | — | — | |
| SCHEMBL27287329 | 0.73 | ADRB2 (0.41) | — |
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-0269258-A2 | Process for the preparation of a pyrrolidinol compound | A.H. ROBINS COMPANY, INCORPORATED (US) | 1988-06-01 | — | — | EP | claimed |
| US-4990683-A | Process for preparing 3-pyrrolidinols | A. H. ROBINS COMPANY, INCORPORATED (US) | 1991-02-05 | — | — | US | disclosed |
| EP-0269258-A2 | Process for the preparation of a pyrrolidinol compound | A.H. ROBINS COMPANY, INCORPORATED (US) | 1988-06-01 | — | — | EP | disclosed |