⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11778353 | 0.86 | — | — | |
| SCHEMBL22856384 | 0.79 | EPHX1 (0.37) | — | |
| SCHEMBL28179346 | 0.78 | — | — | |
| SCHEMBL2524544 | 0.77 | — | — | |
| SCHEMBL692492 | 0.75 | — | — | |
| SCHEMBL5804452 | 0.75 | — | — | |
| SCHEMBL273387 | 0.75 | — | — | |
| SCHEMBL7599922 | 0.75 | LMNA (0.39) | — | |
| SCHEMBL363871 | 0.74 | — | — | |
| SCHEMBL24932476 | 0.73 | ALDH1A1 (0.37) | — |
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-4353915-A | ARTHROPODICIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1982-10-12 | — | — | US | disclosed |
| US-4344953-A | INSECTICIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1982-08-17 | — | — | US | disclosed |
| US-4117154-A | INSECTICIDES, ACARICIDES, NEMATOCIDES, FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |