⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9724360 | 0.59 | — | — | |
| SCHEMBL774582 | 0.59 | — | — | |
| SCHEMBL28772984 | 0.59 | — | — | |
| SCHEMBL9468555 | 0.56 | — | — | |
| SCHEMBL21769422 | 0.56 | — | — | |
| SCHEMBL2154829 | 0.56 | — | — | |
| SCHEMBL3469257 | 0.56 | — | — | |
| SCHEMBL7970188 | 0.56 | — | — | |
| SCHEMBL21916293 | 0.56 | — | — | |
| SCHEMBL10168121 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5220072-A | Reacting 2-ethylapopinene enantiomorph with haloborane-methyl sulfide complex | ALDRICH CHEMICAL CO., INC. (US) | 1993-06-15 | — | — | US | disclosed |
| US-5202502-A | Using b-halodiiso-2-ethylapopinocampheylborane as reducing agent | ALDRICH CHEMICAL COMPANY, INC. (US) | 1993-04-13 | — | — | US | disclosed |
| US-5159116-A | Reducing agents in the asymmetric reduction of ketones to optically active alcohols | ALDRICH CHEMICAL COMPANY, INC. (US) | 1992-10-27 | — | — | US | disclosed |