⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3084306 | 0.80 | — | — | |
| SCHEMBL2596787 | 0.80 | — | — | |
| SCHEMBL2100052 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9293021 | 0.77 | ALOX5 (0.46) | — | |
| SCHEMBL28910735 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL10863337 | 0.75 | ALOX5 (0.38) | — | |
| SCHEMBL11868960 | 0.74 | — | — | |
| SCHEMBL6606367 | 0.74 | ALOX5 (0.43) | — | |
| SCHEMBL27745332 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL2788840 | 0.74 | ALDH1A1 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0186915-A2 | Novel allylic amines | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-07-09 | — | — | EP | claimed |
| EP-0186915-B1 | NOVEL ALLYLIC AMINES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-08-08 | — | — | EP | disclosed |