⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3339651 | 0.90 | — | — | |
| SCHEMBL3334077 | 0.88 | — | — | |
| SCHEMBL3333741 | 0.88 | — | — | |
| SCHEMBL3334781 | 0.87 | CA12 (0.32) | — | |
| SCHEMBL3335918 | 0.86 | CA12 (0.30) | — | |
| SCHEMBL3333333 | 0.85 | CA2 (0.32) | — | |
| SCHEMBL3334521 | 0.80 | CA12 (0.32) | — | |
| SCHEMBL3333025 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL3334558 | 0.75 | — | — | |
| SCHEMBL3335172 | 0.75 | CA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188017-B2 | Organic molybdenum compounds and oil compositions containing the same | SHELL OIL COMPANY (US) | 2012-05-29 | — | — | US | disclosed |
| US-20100144568-A1 | ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME | SHELL OIL COMPANY | 2010-06-10 | — | — | US | disclosed |