⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14907181 | 0.57 | CYP1A2 (0.31) | — | |
| SCHEMBL11404225 | 0.57 | NOS3 (0.32) | — | |
| SCHEMBL20688883 | 0.56 | — | — | |
| SCHEMBL13859293 | 0.56 | — | — | |
| SCHEMBL13810607 | 0.54 | — | — | |
| SCHEMBL21245971 | 0.54 | — | — | |
| SCHEMBL21238678 | 0.54 | NPC1 (0.33) | — | |
| SCHEMBL284316 | 0.52 | — | — | |
| SCHEMBL17191104 | 0.49 | — | — | |
| SCHEMBL10687414 | 0.48 | — | — |
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-4287337-A | HAVING PHOTOCHROMIC PROPERTIES | ETAT FRANCAIS REPRESENTE PAR LE DELEGUE GENERAL POUR L'ARMEMENT (FR) | 1981-09-01 | — | — | US | disclosed |