⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7332695 | 0.78 | — | — | |
| SCHEMBL6634482 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL23706613 | 0.64 | — | — | |
| SCHEMBL1621735 | 0.59 | — | — | |
| SCHEMBL971225 | 0.59 | — | — | |
| SCHEMBL8847152 | 0.59 | — | — | |
| SCHEMBL1620209 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL7149462 | 0.54 | ALDH1A1 (0.37) | — | |
| SCHEMBL20014956 | 0.52 | — | — | |
| SCHEMBL819464 | 0.51 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3957820-A | CURING AGENTS, EPOXY RESINS | CIBA-GEIGY CORPORATION (US) | 1976-05-18 | — | — | US | claimed |
| CN-102766080-B | One class pyrrolidin derivatives, its preparation method and application | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2015-09-23 | — | — | CN | disclosed |
| CN-102766079-B | Pyrrolidine derivative, its preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2015-04-08 | — | — | CN | disclosed |
| CN-102766079-A | Pyrrolidine derivative, its preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2012-11-07 | — | — | CN | disclosed |
| CN-102766080-A | Pyrrolidine derivative, its preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2012-11-07 | — | — | CN | disclosed |
| US-3957820-A | CURING AGENTS, EPOXY RESINS | CIBA-GEIGY CORPORATION (US) | 1976-05-18 | — | — | US | disclosed |
| US-3957820-A | CURING AGENTS, EPOXY RESINS | CIBA-GEIGY CORPORATION (US) | 1976-05-18 | — | — | US | disclosed |