⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8129100 | 0.84 | — | — | |
| SCHEMBL5185352 | 0.79 | — | — | |
| SCHEMBL1045173 | 0.78 | TRPA1 (0.33) | — | |
| SCHEMBL31692552 | 0.76 | KDM1A (0.31) | — | |
| SCHEMBL12391372 | 0.72 | TRPA1 (0.33) | — | |
| SCHEMBL31039568 | 0.72 | TRPA1 (0.33) | — | |
| SCHEMBL8921258 | 0.72 | GABRA1 (0.35) | — | |
| SCHEMBL2879609 | 0.71 | TDP1 (0.31) | — | |
| SCHEMBL629949 | 0.70 | TAAR1 (0.38) | — | |
| SCHEMBL29466647 | 0.70 | TAAR1 (0.38) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-60159740-A | — | — | None | — | — | JP | disclosed |
| JP-S60159740-A | NOVEL PHOTOPOLYMERIZABLE COMPOSITION | ASAHI CHEM IND CO LTD | 1985-08-21 | — | — | JP | disclosed |
| US-4161571-A | GELATION INHIBITORS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1979-07-17 | — | — | US | disclosed |
| US-4080493-A | POLYBUTADIENE, POLYISOPRENE, GELATION INHIBITOR | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1978-03-21 | — | — | US | disclosed |
| US-4054612-A | HOMO- OR COPOLYMERIZATION OF BUTADIENE, CATALYTIC | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1977-10-18 | — | — | US | disclosed |
| US-4052473-A | OF ISOPRENE, NICKEL-ALKYLAMUMIN HALIDE CONTAINING CATALYST | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1977-10-04 | — | — | US | disclosed |