⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9314372 | 0.90 | KMT2A (0.30) | — | |
| SCHEMBL9314392 | 0.81 | CYP4F2 (0.40) | — | |
| SCHEMBL5915934 | 0.76 | HTR2A (0.32) | — | |
| SCHEMBL9314269 | 0.75 | ALOX15 (0.36) | — | |
| SCHEMBL9316330 | 0.75 | NCEH1 (0.37) | — | |
| SCHEMBL9315481 | 0.75 | ALOX15 (0.36) | — | |
| SCHEMBL9315350 | 0.74 | — | — | |
| SCHEMBL3914162 | 0.74 | CES2 (0.32) | — | |
| SCHEMBL8376244 | 0.74 | KDM1A (0.37) | — | |
| SCHEMBL9315510 | 0.74 | — | — |
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-5306600-A | Oxygen-containing titanocenes, and the use thereof | CIBA-GEIGY CORPORATION (US) | 1994-04-26 | — | — | US | disclosed |