⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3298354 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27461147 | 0.98 | — | — | |
| SCHEMBL26633050 | 0.93 | — | — | |
| SCHEMBL10922207 | 0.82 | OPRM1 (0.31) | — | |
| SCHEMBL7270331 | 0.79 | SIGMAR1 (0.33) | — | |
| SCHEMBL10867277 | 0.76 | — | — | |
| SCHEMBL11817414 | 0.76 | PARP1 (0.34) | — | |
| SCHEMBL9278566 | 0.75 | — | — | |
| SCHEMBL10369569 | 0.74 | — | — | |
| SCHEMBL28619084 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101242819-A | Hypnotics and combinations of substituted biaryl and heteroaryl compounds and therapeutic uses thereof | AVENTIS PHARMA INC (US) | 2008-08-13 | — | — | CN | disclosed |
| US-5468876-A | Intermediates for the stereoconservative synthesis of 1-substituted (S)-and (R)-2-aminomethylpyrrolidines | AKTIEBOLAGET ASTRA (SE) | 1995-11-21 | — | — | US | disclosed |
| EP-0253785-B1 | EFFICIENT STEREOCONSERVATIVE SYNTHESES OF 1-SUBSTITUTED (S)- AND (R)-2-AMINOMETHYLPYRROLIDINES AND INTERMEDIATES THEREIN | ASTRA LAKEMEDEL AKTIEBOLAG (SE) | 1992-11-11 | — | — | EP | disclosed |