⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL250 | 0.55 | — | — | |
| SCHEMBL11498161 | 0.55 | — | — | |
| Butadiene SCHEMBL10457929 | 0.55 | TRPA1 (0.44) | — | |
| SCHEMBL17164676 | 0.55 | — | — | |
| SCHEMBL192 | 0.55 | — | — | |
| SCHEMBL3804487 | 0.55 | — | — | |
| Butadiene SCHEMBL11854764 | 0.55 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL11480793 | 0.55 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.55 | — | — | |
| Butadiene SCHEMBL23406461 | 0.50 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116676038-A | Wear-resistant fastener material and preparation method thereof | 宁波楦利高强度紧固件有限公司 | 2023-09-01 | — | — | CN | claimed |
| US-5604066-A | Toner compositions with organometallic polymers | XEROX CORPORATION (US) | 1997-02-18 | — | — | US | claimed |
| JP-5132872-A | — | — | None | — | — | JP | disclosed |
| CN-116676038-A | Wear-resistant fastener material and preparation method thereof | 宁波楦利高强度紧固件有限公司 | 2023-09-01 | — | — | CN | disclosed |
| EP-1406968-A1 | POLYMER BLEND | ESD-Plastics OY (FI) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003000789-A1 | POLYMER BLEND | IONPHASE OY (FI) | 2003-01-03 | — | — | WO | disclosed |
| US-5604066-A | Toner compositions with organometallic polymers | XEROX CORPORATION (US) | 1997-02-18 | — | — | US | disclosed |
| JP-H05132872-A | DEODORIZING COMPOSITION | KANEBO LTD | 1993-05-28 | — | — | JP | disclosed |