⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12149713 | 1.00 | — | — | |
| SCHEMBL22446826 | 1.00 | — | — | |
| SCHEMBL12325863 | 0.97 | — | — | |
| SCHEMBL13073707 | 0.92 | — | — | |
| SCHEMBL8738916 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL19831207 | 0.74 | — | — | |
| SCHEMBL8738048 | 0.74 | — | — | |
| SCHEMBL13890677 | 0.73 | — | — | |
| SCHEMBL11949514 | 0.73 | CHRM2 (0.32) | — | |
| SCHEMBL14639904 | 0.73 | ALDH1A1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170175241-A1 | METHOD TO PREVENT ABNORMAL GRAIN GROWTH FOR BETA ANNEALED TI-6AL-4V FORGINGS | SPIRIT AEROSYSTEMS, INC. (US) | 2017-06-22 | — | — | US | disclosed |