⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11865829 | 0.84 | CYP1A2 (0.38) | — | |
| SCHEMBL22601282 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL15493417 | 0.75 | KDM4E (0.30) | — | |
| SCHEMBL15493405 | 0.75 | KDM4E (0.30) | — | |
| SCHEMBL14113502 | 0.68 | MAPT (0.31) | — | |
| SCHEMBL9509408 | 0.67 | GAA (0.31) | — | |
| SCHEMBL9508162 | 0.64 | TDP1 (0.35) | — | |
| SCHEMBL28602823 | 0.64 | CYP1A2 (0.33) | — | |
| SCHEMBL429623 | 0.63 | POLB (0.34) | — | |
| SCHEMBL9285083 | 0.63 | — | — |
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-3963757-A | Process for the preparation of lactones | PHILLIPS PETROLEUM COMPANY (US) | 1976-06-15 | — | — | US | disclosed |