⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29197344 | 0.69 | — | — | |
| SCHEMBL849669 | 0.62 | — | — | |
| SCHEMBL3249847 | 0.61 | — | — | |
| Benzene SCHEMBL243618 | 0.47 | — | — | |
| Benzene SCHEMBL24022 | 0.42 | TSHR (0.38) | — | |
| Benzene SCHEMBL9787317 | 0.42 | TSHR (0.38) | — | |
| Benzene SCHEMBL25404994 | 0.39 | TSHR (0.35) | — | |
| Benzene SCHEMBL5378059 | 0.39 | — | — | |
| Benzene SCHEMBL2132129 | 0.39 | TSHR (0.35) | — | |
| Benzene SCHEMBL371453 | 0.39 | — | — |
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-4764526-A | FUNGICIDES, PARASITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1988-08-16 | — | — | US | disclosed |
| US-4650809-A | AGRICULTURE | BAYER AKTIENGESELLSCHAFT (DE) | 1987-03-17 | — | — | US | disclosed |