⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12843370 | 0.69 | — | — | |
| SCHEMBL11775574 | 0.65 | — | — | |
| SCHEMBL8002633 | 0.64 | — | — | |
| SCHEMBL3889339 | 0.64 | TSHR (0.41) | — | |
| SCHEMBL8967143 | 0.64 | — | — | |
| SCHEMBL5925245 | 0.64 | — | — | |
| SCHEMBL2985605 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL5815354 | 0.64 | — | — | |
| SCHEMBL4810211 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL6535030 | 0.63 | — | — |
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-20180148547-A1 | METHOD FOR PRODUCING RUBBER COMPOSITION | TOYO TIRE & RUBBER CO., LTD. (JP) | 2018-05-31 | — | — | US | disclosed |
| US-5587503-A | REACTING SILICON CONTAINING ALCOHOLS OR THIOLS WITH ACETYLENE IN SULFOXIDE OR PHOSPHORAMIDE SOLVENT | BASF AKTIENGESELLSCHAFT (DE) | 1996-12-24 | — | — | US | disclosed |