⚠ 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 | |
|---|---|---|---|---|
| Allylamine SCHEMBL16740596 | 0.95 | — | — | |
| Allylamine SCHEMBL15197 | 0.95 | — | — | |
| Allylamine SCHEMBL6032547 | 0.95 | — | — | |
| Allylamine SCHEMBL8858077 | 0.90 | ALDH1A1 (0.90) | — | |
| Allylamine SCHEMBL169953 | 0.90 | — | — | |
| Allylamine SCHEMBL8196674 | 0.90 | ALDH1A1 (0.90) | — | |
| Allylamine SCHEMBL1669962 | 0.90 | — | — | |
| Allylamine SCHEMBL13256599 | 0.90 | — | — | |
| Allylamine SCHEMBL3369484 | 0.90 | — | — | |
| Allylamine SCHEMBL11373125 | 0.90 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0669191-A1 | A biocide composition for the treatment of timber | TIMBERQUEST INTERNATIONAL (PTY) LTD (SA) | 1995-08-30 | — | — | EP | claimed |
| US-7582148-B2 | Wood preservative composition and wood treatment method | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2009-09-01 | — | — | US | disclosed |
| EP-1924142-A2 | BIOCIDAL PREMIXTURES | Honeywell International Inc. (US) | 2008-05-28 | — | — | EP | disclosed |
| US-20070048343-A1 | Biocidal premixtures | HONEYWELL INTERNATIONAL INC. | 2007-03-01 | — | — | US | disclosed |
| WO-2007025272-A2 | BIOCIDAL PREMIXTURES | HONEYWELL INTERNATIONAL INC. (US) | 2007-03-01 | — | — | WO | disclosed |
| US-20070006771-A1 | Wood preservative composition and wood treatment method | SHIN-ETSU CHEMICAL CO., LTD. | 2007-01-11 | — | — | US | disclosed |
| EP-0669191-A1 | A biocide composition for the treatment of timber | TIMBERQUEST INTERNATIONAL (PTY) LTD (SA) | 1995-08-30 | — | — | EP | disclosed |