⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9680994 | 0.97 | — | — | |
| SCHEMBL8536931 | 0.77 | HCAR2 (0.33) | — | |
| SCHEMBL4601791 | 0.73 | KMT2A (0.56) | — | |
| SCHEMBL11296558 | 0.72 | L3MBTL1 (0.44) | — | |
| SCHEMBL513745 | 0.72 | NR3C2 (0.38) | — | |
| SCHEMBL4564658 | 0.71 | RAB9A (0.61) | — | |
| SCHEMBL18426947 | 0.71 | CDK2 (0.45) | — | |
| SCHEMBL10604839 | 0.70 | CHRNB2 (0.46) | — | |
| SCHEMBL3368295 | 0.69 | KDM4E (0.44) | — | |
| SCHEMBL9790163 | 0.69 | RAB9A (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1064388-A | Be used to promote and suppress the preparation of plant growing | VNII CHIM SREDSTV ZASCHITY (SU) | 1992-09-16 | — | — | CN | disclosed |