⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL975610 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL4782921 | 0.68 | TRPA1 (0.32) | — | |
| SCHEMBL9240468 | 0.66 | — | — | |
| SCHEMBL6057561 | 0.63 | TRPA1 (0.40) | — | |
| SCHEMBL6703070 | 0.60 | TRPA1 (0.42) | — | |
| SCHEMBL6015161 | 0.60 | — | — | |
| SCHEMBL11590453 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL6888117 | 0.58 | TRPA1 (0.35) | — | |
| SCHEMBL4789260 | 0.55 | ALDH1A1 (0.30) | — | |
| SCHEMBL24832 | 0.55 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5631209-A | ALGICIDES | ROHM AND HAAS COMPANY (US) | 1997-05-20 | — | — | US | claimed |
| US-5631209-A | ALGICIDES | ROHM AND HAAS COMPANY (US) | 1997-05-20 | — | — | US | disclosed |
| US-5502027-A | ALGICIDES | ROHM AND HAAS COMPANY (US) | 1996-03-26 | — | — | US | disclosed |
| EP-0415642-B1 | Glutarimides | ROHM & HAAS (US) | 1995-12-06 | — | — | EP | disclosed |
| US-5393735-A | N-(halo-oxy-)phenyl substituted cyclic imides | ROHM AND HAAS COMPANY (US) | 1995-02-28 | — | — | US | disclosed |
| EP-0415642-A1 | Glutarimides | ROHM AND HAAS COMPANY (US) | 1991-03-06 | — | — | EP | disclosed |