⚠ 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 | |
|---|---|---|---|---|
| Thiourea SCHEMBL10771868 | 1.00 | — | — | |
| Cyclohexane SCHEMBL1531431 | 0.84 | TSHR (0.46) | — | |
| Cyclohexane SCHEMBL3051193 | 0.84 | TSHR (0.46) | — | |
| Cyclopropane SCHEMBL9026881 | 0.84 | — | — | |
| Cyclohexane SCHEMBL6972653 | 0.84 | TSHR (0.46) | — | |
| Thiourea SCHEMBL1008 | 0.82 | — | — | |
| Thiourea SCHEMBL30536978 | 0.82 | — | — | |
| Thiourea SCHEMBL850383 | 0.82 | — | — | |
| Thiourea SCHEMBL30536984 | 0.82 | — | — | |
| Cyclopentane SCHEMBL9416374 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6114465-A | POLYCHLOROPRENE SILANIZED WITH AMORPHOUS SILICA FILLER AND AN ACID ACCEPTOR USING A SILANIZING AGENT PRIOR TO ADDING TO RUBBER OTHER ADDITIVES | PAGUAG GMBH & CO. (DE) | 2000-09-05 | — | — | US | disclosed |
| US-4645810-A | BLEND OF ACRYLIC ESTER, FREE RADICAL INITIATOR, A THIOUREA AND DIBASIC ORGANIC ACID | USM CORPORATION (US) | 1987-02-24 | — | — | US | disclosed |
| US-4447337-A | WITH MOLYBDENUM COMPOUND AND A THIOUREA | MONSANTO COMPANY (US) | 1984-05-08 | — | — | US | disclosed |
| US-4096201-A | BUTADIENE-ACRYLONITRILE COPOLYMER, HYDROXYALKYL METHACRYLATE, ALKYL METHACRYLATE, ORGANIC HYDROPEROXIDE | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JA) | 1978-06-20 | — | — | US | disclosed |