⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14303039 | 0.69 | CCR5 (0.40) | — | |
| SCHEMBL10175209 | 0.69 | GNAI3 (0.33) | — | |
| SCHEMBL18636553 | 0.69 | — | — | |
| SCHEMBL24746377 | 0.69 | — | — | |
| SCHEMBL22878455 | 0.69 | — | — | |
| SCHEMBL23519569 | 0.69 | — | — | |
| SCHEMBL17057342 | 0.69 | — | — | |
| SCHEMBL24192889 | 0.69 | — | — | |
| SCHEMBL477186 | 0.69 | — | — | |
| SCHEMBL19983416 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10414765-B2 | Substituted perhydropyrrolo[3,4-c]pyrrole derivatives and the use of same | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2019-09-17 | — | — | US | disclosed |