⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL11137967 | 0.87 | THRB (0.38) | — | |
| Tert-Butanol SCHEMBL29026730 | 0.86 | ALDH1A1 (0.40) | — | |
| Tert-Butanol SCHEMBL28404193 | 0.82 | — | — | |
| Formic Acid SCHEMBL16589400 | 0.82 | TDP1 (0.33) | — | |
| Formic Acid SCHEMBL28465803 | 0.78 | — | — | |
| Tert-Butylamine SCHEMBL8647449 | 0.78 | — | — | |
| Formic Acid SCHEMBL1014282 | 0.78 | FDPS (0.32) | — | |
| Formic Acid SCHEMBL139759 | 0.75 | — | — | |
| Formic Acid SCHEMBL11073136 | 0.75 | — | — | |
| Formic Acid SCHEMBL11153346 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116323590-A | Substituted benzo or pyridopyrimidine amine inhibitor, preparation method and application thereof | 苏州泽璟生物制药股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-106083962-B | A kind of compound and preparation method thereof with cyclophosphamide structure | 成都倍特药业有限公司 | 2018-12-18 | — | — | CN | disclosed |
| US-10138356-B2 | Liquid composition comprising polymer chains and particles of an inorganic material in a liquid | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 2018-11-27 | — | — | US | disclosed |
| EP-2285883-B1 | A LIQUID COMPOSITION COMPRISING POLYMER CHAINS AND PARTICLES OF AN INORGANIC MATERIAL IN A LIQUID | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 2017-12-27 | — | — | EP | disclosed |
| CN-106083962-A | A kind of compound with cyclophosphamide structure and preparation method thereof | 成都倍特药业有限公司 | 2016-11-09 | — | — | CN | disclosed |
| US-20110068289-A1 | LIQUID COMPOSITION COMPRISING POLYMER CHAINS AND PARTICLES OF AN INORGANIC MATERIAL IN A LIQUID | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 2011-03-24 | — | — | US | disclosed |
| EP-2285883-A1 | A LIQUID COMPOSITION COMPRISING POLYMER CHAINS AND PARTICLES OF AN INORGANIC MATERIAL IN A LIQUID | Nederlandse Organisatie voor toegepast -natuurwetenschappelijk onderzoek TNO (NL) | 2011-02-23 | — | — | EP | disclosed |
| WO-2009131454-A1 | A LIQUID COMPOSITION COMPRISING POLYMER CHAINS AND PARTICLES OF AN INORGANIC MATERIAL IN A LIQUID | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 2009-10-29 | — | — | WO | disclosed |
| EP-2112196-A1 | A liquid composition comprising polymer chains and particles of an inorganic material in a liquid | Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) | 2009-10-28 | — | — | EP | disclosed |