⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL528830 | 0.74 | — | — | |
| SCHEMBL527637 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL14312178 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL331808 | 0.72 | — | — | |
| SCHEMBL11500603 | 0.70 | — | — | |
| SCHEMBL9718360 | 0.68 | — | — | |
| SCHEMBL1670777 | 0.68 | — | — | |
| SCHEMBL3264413 | 0.67 | DPP4 (0.35) | — | |
| SCHEMBL8517090 | 0.67 | — | — | |
| SCHEMBL5447781 | 0.67 | ALDH1A1 (0.30) | — |
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-20120029156-A1 | Epoxy Curing Compositions and Methods | COGNIS IP MANAGEMENT GMBH (DE) | 2012-02-02 | — | — | US | disclosed |
| EP-2386599-A1 | Epoxy curing compositions and methods | Cognis IP Management GmbH (DE) | 2011-11-16 | — | — | EP | disclosed |
| US-20110253748-A1 | Perfume bottle sealing structure | ING WEN PRECISION ENT. CO., LTD. (TW) | 2011-10-20 | — | — | US | disclosed |