⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL8022835 | 0.95 | — | — | |
| Ether SCHEMBL21406 | 0.89 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248046 | 0.89 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL6 | 0.89 | — | — | |
| Ether SCHEMBL8160191 | 0.89 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248674 | 0.89 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL11335833 | 0.86 | — | — | |
| Ether SCHEMBL8966234 | 0.86 | — | — | |
| Ether SCHEMBL9448930 | 0.84 | ALDH1A1 (0.44) | — | |
| Ether SCHEMBL2884734 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110248934-B | Heteroaryl PAD4 inhibitors | 帕德罗科治疗公司 | 2022-05-24 | — | — | CN | disclosed |
| CN-1699373-A | Method for reducing the danger of large-scale grignard reaction | UNIV FUDAN (CN) | 2005-11-23 | — | — | CN | disclosed |
| CN-1283219-A | Fatty acids, soaps, surfactant systems and consumer products based thereon | PROCTER & GAMBLE (US) | 2001-02-07 | — | — | CN | disclosed |
| US-5817682-A | OXALOXIMES OF PYRAZOLES AND ISOXAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-06 | — | — | US | disclosed |
| US-5672616-A | FUNGICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1997-09-30 | — | — | US | disclosed |
| US-5663185-A | FUNGICIDES, INSECTICIDES, NEMATOCIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-09-02 | — | — | US | disclosed |