⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL11699755 | 0.90 | PPARD (0.53) | — | |
| SCHEMBL27804707 | 0.86 | PPARD (0.59) | — | |
| SCHEMBL6030230 | 0.85 | PPARD (0.76) | — | |
| SCHEMBL9493327 | 0.80 | — | — | |
| SCHEMBL3978120 | 0.80 | — | — | |
| SCHEMBL11235075 | 0.79 | TYMS (0.38) | — | |
| SCHEMBL1305614 | 0.78 | — | — | |
| SCHEMBL10344309 | 0.78 | ALDH1A1 (0.52) | — | |
| SCHEMBL7937648 | 0.78 | PPARD (0.67) | — | |
| Ethyl Hydrogen Hexylphosphonate SCHEMBL27758756 | 0.77 | CETP (0.54) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7786199-B2 | Flame-retardants | CIBA SPECIALTY CHEMICALS CORP. (US) | 2010-08-31 | — | — | US | disclosed |
| US-5965539-A | PEPTIDOMIMETICS; ANTI-CANCER DRUGS | UNIVERISTY OF PITTSBURGH (US) | 1999-10-12 | — | — | US | disclosed |
| EP-0794789-A4 | INHIBITORS OF PRENYL TRANSFERASES | UNIV PITTSBURGH (US) | 1999-05-26 | — | — | EP | disclosed |
| US-5856310-A | ANTITUMOR AGENTS | UNIVERSITY OF PITTSBURGH (US) | 1999-01-05 | — | — | US | disclosed |
| US-5834434-A | PEPTIDOMIMETICS | UNIVERSITY OF PITTSBURGH (US) | 1998-11-10 | — | — | US | disclosed |
| EP-0794789-A1 | INHIBITORS OF PRENYL TRANSFERASES | UNIVERSITY OF PITTSBURGH (US) | 1997-09-17 | — | — | EP | disclosed |
| US-5602098-A | ANTICANCER AGENT | UNIVERSITY OF PITTSBURGH (US) | 1997-02-11 | — | — | US | disclosed |
| WO-1996021456-A1 | INHIBITORS OF PRENYL TRANSFERASES | UNIVERSITY OF PITTSBURGH (US) | 1996-07-18 | — | — | WO | disclosed |