⚠ 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 | |
|---|---|---|---|---|
| Propylamine SCHEMBL7092156 | 0.84 | — | — | |
| Propyne SCHEMBL5167822 | 0.80 | — | — | |
| Putrescine SCHEMBL27963346 | 0.75 | — | — | |
| Ethylamine SCHEMBL9682921 | 0.75 | — | — | |
| Propyne SCHEMBL6450471 | 0.75 | — | — | |
| Ethylamine SCHEMBL1331327 | 0.74 | — | — | |
| Propyne SCHEMBL521923 | 0.74 | — | — | |
| Propyne SCHEMBL9522893 | 0.74 | — | — | |
| Propyne SCHEMBL1330783 | 0.74 | — | — | |
| Ethylamine SCHEMBL854887 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116457335-A | Process for preparing 3-fluoro-5- (((1S, 2 aR) -1,3, 4-pentafluoro-2 a-hydroxy-2, 2a,3, 4-tetrahydro-1H-cyclopenta [ cd ] inden-7-yl) oxy) benzonitrile and polymorphs thereof | 尼坎治疗公司 | 2023-07-18 | — | — | CN | disclosed |
| EP-3039043-B1 | NATURAL RUBBER MODIFIED BY AN AMINO ACID | MICHELIN & CIE (FR) | 2019-05-08 | — | — | EP | disclosed |
| EP-3039043-A1 | NATURAL RUBBER MODIFIED BY AN AMINO ACID | Compagnie Générale des Etablissements Michelin (FR) | 2016-07-06 | — | — | EP | disclosed |
| WO-2015028615-A1 | NATURAL RUBBER MODIFIED BY AN AMINO ACID | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2015-03-05 | — | — | WO | disclosed |
| CN-1064361-C | Xanthine compounds having terminally aminated alkynol side chains | HOECHST AG (DE) | 2001-04-11 | — | — | CN | disclosed |
| CN-1169994-A | Xanthine compounds having terminally aminated alkynol side chains | HOECHST AG (DE) | 1998-01-14 | — | — | CN | disclosed |