⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1223232 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL3966557 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL14762180 | 0.80 | — | — | |
| SCHEMBL9582833 | 0.74 | — | — | |
| SCHEMBL366433 | 0.74 | — | — | |
| Water SCHEMBL27588988 | 0.72 | — | — | |
| Ethylene SCHEMBL27776392 | 0.72 | ALDH1A1 (0.33) | — | |
| Methane SCHEMBL27775184 | 0.72 | — | — | |
| SCHEMBL7992338 | 0.70 | — | — | |
| SCHEMBL7998016 | 0.68 | NPC1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4152366-A | POLYMERIZABLE TO OPTICALLY ACTIVE POLYMERS | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 1979-05-01 | — | — | US | disclosed |
| US-4098834-A | Optically active 3-substituted cyclooctene bicyclo-[6.0.3.]-undecene-3 and exo-2-vinyl norbornane | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 1978-07-04 | — | — | US | disclosed |
| US-3978147-A | NI, LEWIS ACID, PHOSPHINE | STUDIENGESELLSCHAFT KOHLE M.B.H (DT) | 1976-08-31 | — | — | US | disclosed |