⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8966464 | 0.69 | — | — | |
| SCHEMBL1454569 | 0.67 | — | — | |
| SCHEMBL172783 | 0.67 | — | — | |
| SCHEMBL8015076 | 0.67 | — | — | |
| SCHEMBL3782478 | 0.67 | ALDH1A1 (0.47) | — | |
| SCHEMBL28270615 | 0.67 | ALDH1A1 (0.47) | — | |
| SCHEMBL25998 | 0.65 | — | — | |
| SCHEMBL12311361 | 0.65 | ALDH1A1 (0.53) | — | |
| SCHEMBL97351 | 0.65 | — | — | |
| SCHEMBL10767588 | 0.65 | — | — |
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-RE37873-E1 | Phenylacetic acid derivatives, preparation thereof and intermediates therefor, and compositions containing them | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| US-6187812-B1 | FOR CONTROLLING ANIMAL PESTS OR HARMFUL FUNGI; (E,E,E)-2-METHOXYIMINO-2-(2'-(1?-METHYL, 1?-(1?'-ETHOXYIMINOETHYL))IMINOOXYMETHYL)PHENYLACETIC ACID MONOMETHYLAMIDE, FOR EXAMPLE | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-13 | — | — | US | disclosed |