⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5323576 | 0.79 | — | — | |
| SCHEMBL934987 | 0.78 | — | — | |
| SCHEMBL15541793 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL8665942 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL1072967 | 0.72 | — | — | |
| SCHEMBL2100395 | 0.72 | — | — | |
| SCHEMBL3899092 | 0.71 | — | — | |
| SCHEMBL671120 | 0.69 | — | — | |
| SCHEMBL9864913 | 0.69 | — | — | |
| SCHEMBL2370458 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6005012-A | DEHALOGENATION OF ORGANOMETALLIC HALIDES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1999-12-21 | — | — | US | claimed |
| US-5958363-A | Method for making monolithic metal oxide aerogels | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1999-09-28 | — | — | US | claimed |
| US-11512002-B2 | Silica materials and methods of making thereof | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2022-11-29 | — | — | US | disclosed |
| US-20190322535-A1 | Silica Materials and Methods of Making Thereof | UNIVERSITY OF VIRGINIA PATENT FOUNDATION | 2019-10-24 | — | — | US | disclosed |
| US-6005012-A | DEHALOGENATION OF ORGANOMETALLIC HALIDES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1999-12-21 | — | — | US | disclosed |
| US-5958363-A | Method for making monolithic metal oxide aerogels | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1999-09-28 | — | — | US | disclosed |
| US-5807922-A | ORGANOSILANE DERIVATIZED LONG CHAIN OLEFINIC COMPOUND; INKS, COATINGS, ADHESIVES; ZERO VOLATILE ORGANIC COMPONENTS | UNIVERSITY OF SOUTHERN MISSISSIPPI (US) | 1998-09-15 | — | — | US | disclosed |
| US-5164501-A | Vulcanization of silica filled rubbers | DEGUSSA AG (DE) | 1992-11-17 | — | — | US | disclosed |
| US-5073644-A | Reinforced rubber additive | DEGUSSA-HULS AKTIENGESELLSCHAFT (DE) | 1991-12-17 | — | — | US | disclosed |