⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6990542 | 0.72 | HTT (0.31) | — | |
| SCHEMBL18285690 | 0.68 | — | — | |
| SCHEMBL2884058 | 0.66 | CES2 (0.36) | — | |
| SCHEMBL6995147 | 0.64 | HTT (0.32) | — | |
| SCHEMBL3583073 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL9050098 | 0.63 | — | — | |
| SCHEMBL21543933 | 0.62 | HTT (0.31) | — | |
| SCHEMBL92062 | 0.61 | — | — | |
| SCHEMBL21543932 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL9746820 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996007656-A1 | CIS-HEXAHYDRO-5-(2-NAPHTHALENYL)PYRROLO<3,4-c>PYRROLES | ELI LILLY AND COMPANY (US) | 1996-03-14 | — | — | WO | disclosed |
| US-5457121-A | Cis-hexahydro-5-(1,2,3,4-tetrahydro-2-naphthalenyl)pyrrolo<3,4-c>pyrroles as inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1995-10-10 | — | — | US | disclosed |