⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4586361 | 0.90 | CYP1A2 (0.32) | — | |
| SCHEMBL10826389 | 0.74 | CYP1A2 (0.32) | — | |
| SCHEMBL12627474 | 0.73 | CYP1A2 (0.40) | — | |
| SCHEMBL3280951 | 0.72 | ACHE (0.32) | — | |
| SCHEMBL4586517 | 0.67 | ELANE (0.30) | — | |
| SCHEMBL13429684 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL20819712 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL28511 | 0.61 | ALDH1A1 (0.44) | — | |
| SCHEMBL29352635 | 0.61 | ALDH1A1 (0.44) | — | |
| SCHEMBL28563878 | 0.61 | CYP1A2 (0.41) | — |
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-5552508-A | Difunctional bitricyclodecatriene monomers | UNIVERSITY OF MICHIGAN, THE BOARD OF REGENTS (US) | 1996-09-03 | — | — | US | disclosed |