⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11381075 | 0.94 | CA12 (0.31) | — | |
| SCHEMBL11371240 | 0.86 | — | — | |
| SCHEMBL11352733 | 0.85 | — | — | |
| SCHEMBL11395873 | 0.85 | — | — | |
| SCHEMBL11356681 | 0.81 | — | — | |
| SCHEMBL11303670 | 0.80 | — | — | |
| SCHEMBL11373798 | 0.79 | NOD1 (0.32) | — | |
| SCHEMBL11307320 | 0.75 | — | — | |
| SCHEMBL11368390 | 0.75 | — | — | |
| SCHEMBL11306823 | 0.74 | CA12 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4316021-A | VIRICIDES | ELI LILLY AND COMPANY (US) | 1982-02-16 | — | — | US | disclosed |
| US-4243813-A | VIRICIDES | ELI LILLY AND COMPANY (US) | 1981-01-06 | — | — | US | disclosed |
| US-4196125-A | VIRICIDES | ELI LILLY AND COMPANY (US) | 1980-04-01 | — | — | US | disclosed |
| US-4118573-A | ANTIVIRAL AGENTS | ELI LILLY AND COMPANY (US) | 1978-10-03 | — | — | US | disclosed |
| US-4018790-A | VIRICIDES | ELI LILLY AND COMPANY (US) | 1977-04-19 | — | — | US | disclosed |